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7H-Oxireno[b][1]benzopyran-7-one, 1a,7a-dihydro-4-methoxy-7a-(4-methoxyphenyl)-, (.+-.)-
SpectraBase Compound ID 5n0nr4TLDZj
InChI InChI=1S/C17H14O5/c1-19-11-5-3-10(4-6-11)17-15(18)13-8-7-12(20-2)9-14(13)21-16(17)22-17/h3-9,16H,1-2H3
InChIKey IHFWHJATNJEOII-UHFFFAOYSA-N
Mol Weight 298.29 g/mol
Molecular Formula C17H14O5
Exact Mass 298.084124 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CvtWJjobJVi
Name 7H-Oxireno[B][1]benzopyran-7-one, 1A,7A-dihydro-4-methoxy-7A-(4-methoxyphenyl)-, (.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.084123546 u
Formula C17H14O5
InChI InChI=1S/C17H14O5/c1-19-11-5-3-10(4-6-11)17-15(18)13-8-7-12(20-2)9-14(13)21-16(17)22-17/h3-9,16H,1-2H3
InChIKey IHFWHJATNJEOII-UHFFFAOYSA-N
Molecular Weight 298.294 g/mol
SMILES C12(C(OC=3C(C2=O)=CC=C(OC)C3)O1)C=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960634