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(1R-(1.alpha.(1S*,6S*),2.beta.,5.alpha.))-5-methyl-2-(1-methylethyl)cyclohexyl ester of 2-oxobicyclo(4.1.0)heptane-1-carboxylic acid

View entire compound with spectra: 1 MS (GC)

(1R-(1.alpha.(1S*,6S*),2.beta.,5.alpha.))-5-methyl-2-(1-methylethyl)cyclohexyl ester of 2-oxobicyclo(4.1.0)heptane-1-carboxylic acid
SpectraBase Compound ID 1Gw6MebNj2e
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-PNMXUKQVSA-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 8TXaUc1FULp
Name (1R-(1.alpha.(1S*,6S*),2.beta.,5.alpha.))-5-methyl-2-(1-methylethyl)cyclohexyl ester of 2-oxobicyclo(4.1.0)heptane-1-carboxylic acid
Alternate Name(s) (2S,5R)-2-isopropyl-5-methylcyclohexyl (1R,6S)-2-oxobicyclo[4.1.0]heptane-1-carboxylate
CAS Registry Number 75023-17-5
Copyright Copyright © 2020-2024 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-PNMXUKQVSA-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-0900000000-9f90f7a2366ea3599011
Source of Spectrum J-45-4701-0
Wiley ID 1295720