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

*Links on SpectraBase are not permalinks.
1H-Pyrrole-2-carboxylic acid, 5-chloro-4-cyanomethyl-3-(dimethylamino)methyl-, methyl ester
SpectraBase Compound ID 3EEJV29BBkA
InChI InChI=1S/C11H14ClN3O2/c1-15(2)6-8-7(4-5-13)10(12)14-9(8)11(16)17-3/h14H,4,6H2,1-3H3
InChIKey KIJGOPNMBZICJV-UHFFFAOYSA-N
Mol Weight 255.7 g/mol
Molecular Formula C11H14ClN3O2
Exact Mass 255.077454 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 JtYjvy3y49B
Name 1H-Pyrrole-2-carboxylic acid, 5-chloro-4-cyanomethyl-3-(dimethylamino)methyl-, methyl ester
CAS Registry Number 106491-22-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14ClN3O2
InChI InChI=1S/C11H14ClN3O2/c1-15(2)6-8-7(4-5-13)10(12)14-9(8)11(16)17-3/h14H,4,6H2,1-3H3
InChIKey KIJGOPNMBZICJV-UHFFFAOYSA-N
Molecular Weight 255.705 g/mol
SMILES [nH]1c(c(c(c1C(=O)OC)CN(C)C)CC#N)Cl
SPLASH splash10-0006-4690000000-7e40032401324bec69f8
Synonyms Methyl 5-chloro-4-(cyanomethyl)-3-(dimethylaminomethyl)-1H-pyrrole-2-carboxylate Methyl 5-chloro-4-(cyanomethyl)-3-[(dimethylamino)methyl]-1H-pyrrole-2-carboxylate Methyl 5-chloranyl-4-(cyanomethyl)-3-[(dimethylamino)methyl]-1H-pyrrole-2-carboxylate
Wiley ID 1478979