(S)-3-Methyl-heptanoic acid (1S,2S,3S,5R)-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl ester

SpectraBase Compound ID	5pqOeoZCCi
InChI	InChI=1S/C18H32O2/c1-6-7-8-12(2)9-17(19)20-16-11-14-10-15(13(16)3)18(14,4)5/h12-16H,6-11H2,1-5H3/t12-,13-,14+,15-,16-/m0/s1
InChIKey	BPXFWIROEKSTCR-QMHWVQJVSA-N Google Search
Mol Weight	280.5 g/mol
Molecular Formula	C18H32O2
Exact Mass	280.24023 g/mol

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SpectraBase Spectrum ID	K7WttmBIr7a
Name	(S)-3-Methyl-heptanoic acid (1S,2S,3S,5R)-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl ester
Alternate Name(s)	(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl (3S)-3-methylheptanoate 3-(3-Methyl-1-oxohept-2-en-1-yloxy)-1,7,7-trimethylbicyclo[3.1.1]heptane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H32O2
InChI	InChI=1S/C18H32O2/c1-6-7-8-12(2)9-17(19)20-16-11-14-10-15(13(16)3)18(14,4)5/h12-16H,6-11H2,1-5H3/t12-,13-,14+,15-,16-/m0/s1
InChIKey	BPXFWIROEKSTCR-QMHWVQJVSA-N
Molecular Weight	280.452 g/mol
SMILES	[C@]12(C(C)(C)[C@](C2)(C[C@@]([C@]1(C)[H])(OC(=O)C[C@](CCCC)(C)[H])[H])[H])[H]
SPLASH	splash10-000i-0900000000-3f20bc528ab8181607a1
Source of Spectrum	KD-13-2517-5
Wiley ID	1635584