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2-[3,4-Methylenedioxyphenyl]-1-methylhexahydropyrimidine

View entire compound with spectra: 1 FTIR

2-[3,4-Methylenedioxyphenyl]-1-methylhexahydropyrimidine
SpectraBase Compound ID G4OoCN29KlG
InChI InChI=1S/C12H16N2O2/c1-14-6-2-5-13-12(14)9-3-4-10-11(7-9)16-8-15-10/h3-4,7,12-13H,2,5-6,8H2,1H3
InChIKey PMVZLYYZJRCVTK-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C12H16N2O2
Exact Mass 220.121178 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FL1Z6Hy4woZ
Name 2-[3,4-Methylenedioxyphenyl]-1-methylhexahydropyrimidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.121177761 u
Formula C12H16N2O2
InChI InChI=1S/C12H16N2O2/c1-14-6-2-5-13-12(14)9-3-4-10-11(7-9)16-8-15-10/h3-4,7,12-13H,2,5-6,8H2,1H3
InChIKey PMVZLYYZJRCVTK-UHFFFAOYSA-N
Molecular Weight 220.272 g/mol
SMILES C1=C(C=CC2=C1OCO2)C1NCCCN1C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973516