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(6aS,12aS)-9-methoxy-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one

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

(6aS,12aS)-9-methoxy-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one
SpectraBase Compound ID K0yNCzTRB6C
InChI InChI=1S/C17H14O4/c1-19-10-6-7-12-14(8-10)21-15-9-20-13-5-3-2-4-11(13)16(15)17(12)18/h2-8,15-16H,9H2,1H3/t15-,16+/m1/s1
InChIKey XMTWIAHPZMPASQ-CVEARBPZSA-N
Mol Weight 282.3 g/mol
Molecular Formula C17H14O4
Exact Mass 282.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1Pu8rlz0M8
Name (6as,12As)-9-methoxy-6A,12A-dihydro-6H-chromeno[3,4-B]chromen-12-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.089208927 u
Formula C17H14O4
InChI InChI=1S/C17H14O4/c1-19-10-6-7-12-14(8-10)21-15-9-20-13-5-3-2-4-11(13)16(15)17(12)18/h2-8,15-16H,9H2,1H3/t15-,16+/m1/s1
InChIKey XMTWIAHPZMPASQ-CVEARBPZSA-N
SMILES C1([C@@]2([C@](COC3=C2C=CC=C3)([H])OC2=C1C=CC(OC)=C2)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939254