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

*Links on SpectraBase are not permalinks.
1H-Pyrrole-2-carboxylic acid, 4-(3-methoxy-3-oxo-1-propenyl)-3,5-dimethyl-1-[(phenylmethoxy)methyl]-, ethyl ester, (E)-
SpectraBase Compound ID CHDIvjNmaQE
InChI InChI=1S/C21H25NO5/c1-5-27-21(24)20-15(2)18(11-12-19(23)25-4)16(3)22(20)14-26-13-17-9-7-6-8-10-17/h6-12H,5,13-14H2,1-4H3/b12-11+
InChIKey GMZDAOCDVJVOPQ-VAWYXSNFSA-N
Mol Weight 371.43 g/mol
Molecular Formula C21H25NO5
Exact Mass 371.173273 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 90aOqW1sxZa
Name 1H-Pyrrole-2-carboxylic acid, 4-(3-methoxy-3-oxo-1-propenyl)-3,5-dimethyl-1-[(phenylmethoxy)methyl]-, ethyl ester, (E)-
CAS Registry Number 122676-33-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO5
InChI InChI=1S/C21H25NO5/c1-5-27-21(24)20-15(2)18(11-12-19(23)25-4)16(3)22(20)14-26-13-17-9-7-6-8-10-17/h6-12H,5,13-14H2,1-4H3/b12-11+
InChIKey GMZDAOCDVJVOPQ-VAWYXSNFSA-N
Molecular Weight 371.433 g/mol
SMILES c1([n](c(c(c1C)\C=C\C(=O)OC)C)COCc1ccccc1)C(=O)OCC
SPLASH splash10-0006-9030000000-c2053209578079722d6a
Source of Spectrum J-54-4805-15
Synonyms Ethyl 1-(benzyloxymethyl)-4-[2-(methoxycarbonyl)-ethenyl]-3,5-dimethylpyrrole-2-carboxylate Ethyl 1-[(benzyloxy)methyl]-4-[(1E)-3-methoxy-3-oxo-1-propenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1355019