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

*Links on SpectraBase are not permalinks.
1H-Pyrrole-3-propanoic acid, 2-(2,2-dicyanoethyl)-4-(2-methoxy-2-oxoethyl)-5-[(phenylmethoxy)carbonyl]-, methyl ester
SpectraBase Compound ID AnHjcMb2Sbq
InChI InChI=1S/C23H23N3O6/c1-30-20(27)9-8-17-18(11-21(28)31-2)22(26-19(17)10-16(12-24)13-25)23(29)32-14-15-6-4-3-5-7-15/h3-7,16,26H,8-11,14H2,1-2H3
InChIKey TTZHHHYTJBFROT-UHFFFAOYSA-N
Mol Weight 437.45 g/mol
Molecular Formula C23H23N3O6
Exact Mass 437.158685 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 AuSdrTt85nk
Name 1H-Pyrrole-3-propanoic acid, 2-(2,2-dicyanoethyl)-4-(2-methoxy-2-oxoethyl)-5-[(phenylmethoxy)carbonyl]-, methyl ester
CAS Registry Number 101210-28-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23N3O6
InChI InChI=1S/C23H23N3O6/c1-30-20(27)9-8-17-18(11-21(28)31-2)22(26-19(17)10-16(12-24)13-25)23(29)32-14-15-6-4-3-5-7-15/h3-7,16,26H,8-11,14H2,1-2H3
InChIKey TTZHHHYTJBFROT-UHFFFAOYSA-N
Molecular Weight 437.452 g/mol
SMILES [nH]1c(c(c(c1C(OCc1ccccc1)=O)CC(=O)OC)CCC(=O)OC)CC(C#N)C#N
SPLASH splash10-03rq-3039000000-57a93afae8935e48ac8d
Source of Spectrum KC-1988-1194-28
Synonyms benzyl 5-(2,2-dicyanoethyl)-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate Benzyl 5-(2,2-dicyanoethyl)-4-(2-methoxycarbonylethyl)-3-methoxycarbonylmethylpyrrole-2-carboxylate
Wiley ID 1383793