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3H-2-Benzopyran-3-one, 1,4-dihydro-6,7-dimethoxy-1-(phenylmethyl)-, (.+-.)-

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

3H-2-Benzopyran-3-one, 1,4-dihydro-6,7-dimethoxy-1-(phenylmethyl)-, (.+-.)-
SpectraBase Compound ID 6r1zE7B1mxx
InChI InChI=1S/C18H18O4/c1-20-16-9-13-10-18(19)22-15(14(13)11-17(16)21-2)8-12-6-4-3-5-7-12/h3-7,9,11,15H,8,10H2,1-2H3
InChIKey UVNFHNLTSIQACA-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8KYdG92A2Qb
Name 3H-2-Benzopyran-3-one, 1,4-dihydro-6,7-dimethoxy-1-(phenylmethyl)-, (.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.120509056 u
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-20-16-9-13-10-18(19)22-15(14(13)11-17(16)21-2)8-12-6-4-3-5-7-12/h3-7,9,11,15H,8,10H2,1-2H3
InChIKey UVNFHNLTSIQACA-UHFFFAOYSA-N
SMILES C1=2C(=CC(=C(C2)OC)OC)CC(OC1CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935864