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6-Methyl-3,4-(5'-methoxy)benzo-2-oxabicyclo(4.1.0)hept-3-en-5-one

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

6-Methyl-3,4-(5'-methoxy)benzo-2-oxabicyclo(4.1.0)hept-3-en-5-one
SpectraBase Compound ID 7QUeWaEc6lh
InChI InChI=1S/C12H12O3/c1-12-6-10(12)15-9-5-7(14-2)3-4-8(9)11(12)13/h3-5,10H,6H2,1-2H3
InChIKey YMAGECSHLQMIKM-UHFFFAOYSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Emkyybap8D2
Name 6-Methyl-3,4-(5'-methoxybenzo)-2-oxabicyclo(4.1.0)hept-3-en-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.078644243 u
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-12-6-10(12)15-9-5-7(14-2)3-4-8(9)11(12)13/h3-5,10H,6H2,1-2H3
InChIKey YMAGECSHLQMIKM-UHFFFAOYSA-N
Molecular Weight 204.225 g/mol
SMILES C1(=CC=C2C(=C1)OC1C(C2=O)(C1)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920733