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2-(3-Methoxyphenyl)-2,3,4,5-tetrahydrooxepin

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

2-(3-Methoxyphenyl)-2,3,4,5-tetrahydrooxepin
SpectraBase Compound ID 2xbmYTejucD
InChI InChI=1S/C13H16O2/c1-14-12-7-5-6-11(10-12)13-8-3-2-4-9-15-13/h4-7,9-10,13H,2-3,8H2,1H3
InChIKey PBRQSMFBUNKENI-UHFFFAOYSA-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 GpXPvekCouR
Name 2-(3-Methoxyphenyl)-2,3,4,5-tetrahydrooxepin
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/c1-14-12-7-5-6-11(10-12)13-8-3-2-4-9-15-13/h4-7,9-10,13H,2-3,8H2,1H3
InChIKey PBRQSMFBUNKENI-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C=1(C=C(OC)C=CC1)C1OC=CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941114