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3,4-Methylenedioxyamphetamine (CS2-artifact,-H2S)

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

3,4-Methylenedioxyamphetamine (CS2-artifact,-H2S)
SpectraBase Compound ID Fl1Ezv9QslU
InChI InChI=1S/C11H11NO2S/c1-8(12-6-15)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5,8H,4,7H2,1H3
InChIKey FZZIMBRQKRIKEK-UHFFFAOYSA-N
Mol Weight 221.27 g/mol
Molecular Formula C11H11NO2S
Exact Mass 221.05105 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ELXZO9g6ZPr
Name 3,4-Methylenedioxyamphetamine (CS2-artifact,-H2S)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.051049770 u
Formula C11H11NO2S
InChI InChI=1S/C11H11NO2S/c1-8(12-6-15)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5,8H,4,7H2,1H3
InChIKey FZZIMBRQKRIKEK-UHFFFAOYSA-N
Molecular Weight 221.274 g/mol
SMILES C1=2C(=CC=C(C2)CC(N=C=S)C)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964966