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(1R,2S)-Trans-2-(4'-methoxy-3'-methylphenyl)-cyclopent-3-enol

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(1R,2S)-Trans-2-(4'-methoxy-3'-methylphenyl)-cyclopent-3-enol
SpectraBase Compound ID DFhxKMAooBc
InChI InChI=1S/C13H16O2/c1-9-8-10(6-7-13(9)15-2)11-4-3-5-12(11)14/h3-4,6-8,11-12,14H,5H2,1-2H3/t11-,12+/m0/s1
InChIKey QXSYHENJLWFPNH-NWDGAFQWSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cceanfydu4v
Name (1R,2S)-Trans-2-(4'-methoxy-3'-methylphenyl)-cyclopent-3-enol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-9-8-10(6-7-13(9)15-2)11-4-3-5-12(11)14/h3-4,6-8,11-12,14H,5H2,1-2H3/t11-,12+/m0/s1
InChIKey QXSYHENJLWFPNH-NWDGAFQWSA-N
Molecular Weight 204.269 g/mol
SMILES C=1C[C@]([C@@](C1)(C1=CC=C(C(=C1)C)OC)[H])(O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867465