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1-(3-Methoxyphenyl)cyclohex-1-ene
SpectraBase Compound ID BerSgZp0S3M
InChI InChI=1S/C13H16O/c1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11/h5-6,8-10H,2-4,7H2,1H3
InChIKey MOLNOQQWGBHOLV-UHFFFAOYSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUUyvYdtWme
Name 1-(3-Methoxyphenyl)cyclohex-1-ene
Classification Pharmaceutical drug metabolite, artifact
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 188.120115134 u
Formula C13H16O
InChI InChI=1S/C13H16O/c1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11/h5-6,8-10H,2-4,7H2,1H3
InChIKey MOLNOQQWGBHOLV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 188.270 g/mol
Nominal Mass 188 u
Quality 982
Retention Index 1656
SMILES C1(C2=CCCCC2)=CC(=CC=C1)OC
SPLASH splash10-07e0-2900000000-cc2d4da2c36500c4ad6b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-MeO-PCP-A Tramadol-A 1-(1-Cyclohexen-1-yl)-3-methoxybenzene
Technique GC/MS
Wiley ID DD2024_015489