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(-)-(4S,5R)-Methyl dihydroabscisate
SpectraBase Compound ID 4vI3TTkTIth
InChI InChI=1S/C16H24O4/c1-11(8-14(18)20-5)6-7-16(19)12(2)9-13(17)10-15(16,3)4/h6-8,12,19H,9-10H2,1-5H3/b7-6+,11-8-/t12-,16-/m1/s1
InChIKey XMDUFQUWUYHKRS-XCOKSTTASA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwymBgh387C
Name (-)-(4S,5R)-Methyl dihydroabscisate
CAS Registry Number 130694-62-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-11(8-14(18)20-5)6-7-16(19)12(2)9-13(17)10-15(16,3)4/h6-8,12,19H,9-10H2,1-5H3/b7-6+,11-8-/t12-,16-/m1/s1
InChIKey XMDUFQUWUYHKRS-XCOKSTTASA-N
Molecular Weight 280.364 g/mol
SMILES O[C@]1(C(CC(C[C@]1(C)[H])=O)(C)C)\C=C\C(=C/C(=O)OC)C
SPLASH splash10-00di-0900000000-6398bdfc7472275df1dd
Source of Spectrum I-68-1160-29
Synonyms Methyl (2Z,4E)-5-[(1S,6R)-1-hydroxy-2,2,6-trimethyl-4-oxocyclohexyl]-3-methyl-2,4-pentadienoate
Wiley ID 1283985