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7,8-Methylenedioxy-2-(3,4-methylenedioxyphenethyl)-1,2,3,4-tetrahydroisoquinolin-3-one

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

7,8-Methylenedioxy-2-(3,4-methylenedioxyphenethyl)-1,2,3,4-tetrahydroisoquinolin-3-one
SpectraBase Compound ID JeUmvgOAqPB
InChI InChI=1S/C19H17NO5/c21-18-8-13-2-4-16-19(25-11-23-16)14(13)9-20(18)6-5-12-1-3-15-17(7-12)24-10-22-15/h1-4,7H,5-6,8-11H2
InChIKey NFZAUFLSMPPLSG-UHFFFAOYSA-N
Mol Weight 339.35 g/mol
Molecular Formula C19H17NO5
Exact Mass 339.110673 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3Y94S2BQD5U
Name 7,8-Methylenedioxy-2-(3,4-methylenedioxyphenethyl)-1,2,3,4-tetrahydroisoquinolin-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.110672646 u
Formula C19H17NO5
InChI InChI=1S/C19H17NO5/c21-18-8-13-2-4-16-19(25-11-23-16)14(13)9-20(18)6-5-12-1-3-15-17(7-12)24-10-22-15/h1-4,7H,5-6,8-11H2
InChIKey NFZAUFLSMPPLSG-UHFFFAOYSA-N
Molecular Weight 339.347 g/mol
SMILES C1N(C(CC=2C=CC3=C(C12)OCO3)=O)CCC=1C=C2C(=CC1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962034