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Di(3,4,methylenedioxy)benzylamine acetate

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

Di(3,4,methylenedioxy)benzylamine acetate
SpectraBase Compound ID LLcJkeMgyCx
InChI InChI=1S/C18H17NO5/c1-12(20)19(8-13-2-4-15-17(6-13)23-10-21-15)9-14-3-5-16-18(7-14)24-11-22-16/h2-7H,8-11H2,1H3
InChIKey SQXRBCQLSCPIDO-UHFFFAOYSA-N
Mol Weight 327.34 g/mol
Molecular Formula C18H17NO5
Exact Mass 327.110673 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EpKNELpnWwB
Name di(3,4,Methylenedioxy)benzylamine acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.110672646 u
Formula C18H17NO5
InChI InChI=1S/C18H17NO5/c1-12(20)19(8-13-2-4-15-17(6-13)23-10-21-15)9-14-3-5-16-18(7-14)24-11-22-16/h2-7H,8-11H2,1H3
InChIKey SQXRBCQLSCPIDO-UHFFFAOYSA-N
Molecular Weight 327.336 g/mol
SMILES C1(=CC=C2C(=C1)OCO2)CN(C(=O)C)CC1=CC=C2OCOC2=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.806601