For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(2',3'-Methylenedioxybenzyl)-3-cyano-1-pyrroline
SpectraBase Compound ID A9DLdMAxCUT
InChI InChI=1S/C13H12N2O2/c14-7-10-4-5-15-11(10)6-9-2-1-3-12-13(9)17-8-16-12/h1-3,10H,4-6,8H2
InChIKey ULHBERUXLOEXRD-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C13H12N2O2
Exact Mass 228.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID H4wP9mc8pif
Name 2-(2',3'-Methylenedioxybenzyl)-3-cyano-1-pyrroline
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O2
InChI InChI=1S/C13H12N2O2/c14-7-10-4-5-15-11(10)6-9-2-1-3-12-13(9)17-8-16-12/h1-3,10H,4-6,8H2
InChIKey ULHBERUXLOEXRD-UHFFFAOYSA-N
Molecular Weight 228.251 g/mol
SMILES C1(=NCCC1C#N)Cc1c2OCOc2ccc1
SPLASH splash10-0ufr-0090000000-5a1c137784fcf59f34c7
Source of Spectrum KC-57-6996-4
Synonyms 5-(1,3-benzodioxol-4-ylmethyl)-3,4-dihydro-2H-pyrrole-4-carbonitrile
Wiley ID 1625300