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3,4-Methylenedioxybenzoyl-3,4-methylenedioxymethamphetamine

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

3,4-Methylenedioxybenzoyl-3,4-methylenedioxymethamphetamine
SpectraBase Compound ID KpFk6mSxOIz
InChI InChI=1S/C19H19NO5/c1-12(6-13-2-4-16-18(7-13)24-10-22-16)20-9-15(21)14-3-5-17-19(8-14)25-11-23-17/h2-5,7-8,12,20H,6,9-11H2,1H3
InChIKey HWLAKECUQCFOQQ-UHFFFAOYSA-N
Mol Weight 341.36 g/mol
Molecular Formula C19H19NO5
Exact Mass 341.126323 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DbEHZo48ZLx
Name 3,4-Methylenedioxybenzoyl-3,4-methylenedioxymethamphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.126322711 u
Formula C19H19NO5
InChI InChI=1S/C19H19NO5/c1-12(6-13-2-4-16-18(7-13)24-10-22-16)20-9-15(21)14-3-5-17-19(8-14)25-11-23-17/h2-5,7-8,12,20H,6,9-11H2,1H3
InChIKey HWLAKECUQCFOQQ-UHFFFAOYSA-N
Molecular Weight 341.363 g/mol
SMILES C(NC(C)CC1=CC2=C(C=C1)OCO2)C(C1=CC2=C(C=C1)OCO2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864182