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[(1S)-2-(m-tolyl)cyclohex-2-en-1-yl] butanoate
SpectraBase Compound ID Jk0vUZ07lB9
InChI InChI=1S/C17H22O2/c1-3-7-17(18)19-16-11-5-4-10-15(16)14-9-6-8-13(2)12-14/h6,8-10,12,16H,3-5,7,11H2,1-2H3/t16-/m0/s1
InChIKey QRKUHLUXAFBSHY-INIZCTEOSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZ3sZNFaVtL
Name [(1S)-2-(m-tolyl)cyclohex-2-en-1-yl] butanoate
Appearance Viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-3-7-17(18)19-16-11-5-4-10-15(16)14-9-6-8-13(2)12-14/h6,8-10,12,16H,3-5,7,11H2,1-2H3/t16-/m0/s1
InChIKey QRKUHLUXAFBSHY-INIZCTEOSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01375
Molecular Weight 258.361 g/mol
SMILES c1ccc(cc1C)C1=CCCC[C@@]1(OC(CCC)=O)[H]
SPLASH splash10-05fr-0900000000-e85e4a08e413925529aa
Source of Spectrum A1-23-SM9-5ea
Wiley ID 1867986