
BENZYL ORANGE
产品名称
BENZYL ORANGE
CAS号589-02-6
分子式C19H16KN3O3S
分子量405.51194
InChIInChI=1S/C19H17N3O3S.K/c23-26(24,25)19-12-10-18(11-13-19)22-21-17-8-6-16(7-9-17)20-14-15-4-2-1-3-5-15;/h1-13,20H,14H2,(H,23,24,25);/q;+1/p-1/b22-21+;
InChIKeyHHGSSTKRFXJDCV-QUABFQRHSA-M
SmilesC1(C=CC(NCC2C=CC=CC=2)=CC=1)/N=N/C1=CC=C(S([O-])(=O)=O)C=C1.[K+]
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Assign. Shift(ppm)
A 7.72
B 7.71
C 7.38
D 7.34
E 7.264
F 6.737
G 4.407
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
152.27 403 1
152.09 465 2
148.48 372 3
143.00 403 4
139.24 441 5
128.33 906 6
127.16 1000 7
126.81 542 8
126.52 806 9
125.09 651 10
121.11 751 11
111.99 713 12
45.98 325 13
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : nujol mull
BENZYL ORANGE(589-02-6)核磁图(1HNMR) 相关产品图谱