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

*Links on SpectraBase are not permalinks.
1H-Pyrrole-3-propanoic acid, 5-[(4-ethenyl-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-[[5-(methoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-2H-pyrrol-2-ylidene]methyl]-4-methyl-, methyl ester, (Z,Z)-
SpectraBase Compound ID CsGUEtlpo0M
InChI InChI=1S/C29H33N3O7/c1-8-18-15(2)22(32-28(18)35)13-21-16(3)19(9-11-25(33)37-5)23(30-21)14-24-20(10-12-26(34)38-6)17(4)27(31-24)29(36)39-7/h8,13-14,30H,1,9-12H2,2-7H3,(H,32,35)/b22-13-,24-14-
InChIKey VEBVKCBMGFPPLZ-YXDRJAMLSA-N
Mol Weight 535.6 g/mol
Molecular Formula C29H33N3O7
Exact Mass 535.23185 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 CuREUSPkqP5
Name 1H-Pyrrole-3-propanoic acid, 5-[(4-ethenyl-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-[[5-(methoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-2H-pyrrol-2-ylidene]methyl]-4-methyl-, methyl ester, (Z,Z)-
CAS Registry Number 113396-10-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H33N3O7
InChI InChI=1S/C29H33N3O7/c1-8-18-15(2)22(32-28(18)35)13-21-16(3)19(9-11-25(33)37-5)23(30-21)14-24-20(10-12-26(34)38-6)17(4)27(31-24)29(36)39-7/h8,13-14,30H,1,9-12H2,2-7H3,(H,32,35)/b22-13-,24-14-
InChIKey VEBVKCBMGFPPLZ-YXDRJAMLSA-N
Molecular Weight 535.597 g/mol
SMILES [nH]1c(c(c(c1\C=C/1C(=C(C(N1)=O)C=C)C)C)CCC(=O)OC)\C=C\1N=C(C(C)=C1CCC(=O)OC)C(=O)OC
SPLASH splash10-004l-9010120000-87bc9f38c1a7cabc4829
Source of Spectrum AJ-60-4048-0
Synonyms 14-Methoxycarbonyl-8,12-bis[2-(methoxycarbonyl)ethyl]-3,7,13-trimethyl-2-vinyltripyrrin-1-one Methyl (2Z)-3-(3-methoxy-3-oxopropyl)-2-({3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl}methylene)-4-methyl-2H-pyrrole-5-carboxylate
Wiley ID 1403949