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Tetradehydro-roemerine

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

Tetradehydro-roemerine
SpectraBase Compound ID KoqCluStMpl
InChI InChI=1S/C18H13NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-9H,10H2,1H3
InChIKey IUYZHDCNLKFGIU-UHFFFAOYSA-N
Mol Weight 275.31 g/mol
Molecular Formula C18H13NO2
Exact Mass 275.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HQbPKrQcd3l
Name Tetradehydro-roemerine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.094628661 u
Formula C18H13NO2
InChI InChI=1S/C18H13NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-9H,10H2,1H3
InChIKey IUYZHDCNLKFGIU-UHFFFAOYSA-N
Molecular Weight 275.307 g/mol
SMILES C=12C=3N(C)C=CC2=CC=2OCOC2C1C1=C(C=CC=C1)C3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.824244