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[(1R,3S)-1-Methyl-3-(1-methylethyl)cyclopent-1-yl] Benzoate
SpectraBase Compound ID 4QtuDpBRJNt
InChI InChI=1S/C16H22O2/c1-12(2)14-9-10-16(3,11-14)18-15(17)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t14-,16+/m0/s1
InChIKey YDXIPFGRKWIOSY-GOEBONIOSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AiSZzrbGVna
Name [(1R,3S)-1-Methyl-3-(1-methylethyl)cyclopent-1-yl] Benzoate
Alternate Name(s) (1R,3S)-3-isopropyl-1-methylcyclopentyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-12(2)14-9-10-16(3,11-14)18-15(17)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t14-,16+/m0/s1
InChIKey YDXIPFGRKWIOSY-GOEBONIOSA-N
Literature Reference DOI 10.1002/hlca.200490180
Molecular Weight 246.350 g/mol
SMILES C[C@]1(OC(c2ccccc2)=O)C[C@@](C(C)C)(CC1)[H]
SPLASH splash10-0a59-4900000000-6172e1a7c0ee954c5ae5
Source of Spectrum H-87-2020-28
Wiley ID 1785560