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(1R-(1.alpha.(1R*,6R*)2.beta.,5.alpha.))-5-methyl-2-(1-methylethyl)cyclohexyl ester of 2-oxo-bicyclo(4,1,0)heptane-1-carboxylic acid

View entire compound with spectra: 1 MS (GC)

(1R-(1.alpha.(1R*,6R*)2.beta.,5.alpha.))-5-methyl-2-(1-methylethyl)cyclohexyl ester of 2-oxo-bicyclo(4,1,0)heptane-1-carboxylic acid
SpectraBase Compound ID 3nmQTEkVBm8
InChI InChI=1S/C18H28O3/c1-11(2)14-8-7-12(3)9-15(14)21-17(20)18-10-13(18)5-4-6-16(18)19/h11-15H,4-10H2,1-3H3/t12-,13-,14+,15?,18-/m1/s1
InChIKey FUABSPFGBXONPI-OOLLNLRYSA-N
Mol Weight 292.42 g/mol
Molecular Formula C18H28O3
Exact Mass 292.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYL339XrchJ
Name (1R-(1.alpha.(1R*,6R*)2.beta.,5.alpha.))-5-methyl-2-(1-methylethyl)cyclohexyl ester of 2-oxo-bicyclo(4,1,0)heptane-1-carboxylic acid
CAS Registry Number 74965-54-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O3
InChI InChI=1S/C18H28O3/c1-11(2)14-8-7-12(3)9-15(14)21-17(20)18-10-13(18)5-4-6-16(18)19/h11-15H,4-10H2,1-3H3/t12-,13-,14+,15?,18-/m1/s1
InChIKey FUABSPFGBXONPI-OOLLNLRYSA-N
Molecular Weight 292.419 g/mol
SMILES [C@]12(C(OC3[C@@](CC[C@](C3)(C)[H])(C(C)C)[H])=O)[C@@](CCCC1=O)([H])C2
SPLASH splash10-0udr-0900000000-7ac76b285b8a69a2b28b
Source of Spectrum J-45-4701-0
Synonyms (2S,5R)-2-isopropyl-5-methylcyclohexyl (1R,6R)-2-oxobicyclo[4.1.0]heptane-1-carboxylate
Wiley ID 1295721