产品名称 β-甲基-b-羟基丁酸钙
CAS号135236-72-5
分子式C5H12CaO3
分子量160.23
InChIInChI=1S/2C5H10O3.Ca/c2*1-5(2,8)3-4(6)7;/h2*8H,3H2,1-2H3,(H,6,7);/q;;+2/p-2
InChIKeyWLJUMPWVUPNXMF-UHFFFAOYSA-L
SmilesC(O)(C)(C)CC(=O)O[Ca]OC(=O)CC(O)(C)C
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400 MHz in DMSO-d6
Assign. Shift(ppm) A 2.145 B 1.116
Hz ppm Int.
857.54 2.146 160 446.29 1.117 1000
in DMSO-d6
KBr disc
nujol mull
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