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Bicyclo[4.1.0]heptane-2-carboxylic acid, 2-(4-hydroxy-3-oxobutyl)-3,7,7-trimethyl-, [1R-(1.alpha.,2.beta.,3.beta.,6.alpha.)]-
SpectraBase Compound ID E5NladZBlRh
InChI InChI=1S/C15H24O4/c1-9-4-5-11-12(14(11,2)3)15(9,13(18)19)7-6-10(17)8-16/h9,11-12,16H,4-8H2,1-3H3,(H,18,19)/t9-,11+,12+,15-/m0/s1
InChIKey PQJVLUITLTUAII-NFOTXUCKSA-N
Mol Weight 268.35 g/mol
Molecular Formula C15H24O4
Exact Mass 268.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZmDTbUdET3
Name Bicyclo[4.1.0]heptane-2-carboxylic acid, 2-(4-hydroxy-3-oxobutyl)-3,7,7-trimethyl-, [1R-(1.alpha.,2.beta.,3.beta.,6.alpha.)]-
CAS Registry Number 77284-03-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O4
InChI InChI=1S/C15H24O4/c1-9-4-5-11-12(14(11,2)3)15(9,13(18)19)7-6-10(17)8-16/h9,11-12,16H,4-8H2,1-3H3,(H,18,19)/t9-,11+,12+,15-/m0/s1
InChIKey PQJVLUITLTUAII-NFOTXUCKSA-N
Molecular Weight 268.353 g/mol
SMILES OC([C@]1(CCC(CO)=O)[C@]2(C(C)(C)[C@@]2(CC[C@@]1(C)[H])[H])[H])=O
SPLASH splash10-000x-9410000000-23b5ee4d48726c3fa2e7
Source of Spectrum KC-1984-220-0
Synonyms (1R,2S,3S,6R)-2-(4-hydroxy-3-oxobutyl)-3,7,7-trimethylbicyclo[4.1.0]heptane-2-carboxylic acid (1R,6R,7S,10R)-14-hydroxy-4-oxo-4,5-secovitran-5-oic acid
Wiley ID 1272160