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

*Links on SpectraBase are not permalinks.
1H-Pyrrole-3-propanoic acid, 5-[(3,4-dihydro-3,3,5-trimethyl-2H-pyrrol-2-ylidene)methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-, methyl ester, (Z)-
SpectraBase Compound ID J40ekevMWdJ
InChI InChI=1S/C24H34N2O6/c1-14-13-24(5,6)18(25-14)12-17-16(11-20(28)31-8)15(9-10-19(27)30-7)21(26-17)22(29)32-23(2,3)4/h12,26H,9-11,13H2,1-8H3/b18-12-
InChIKey DXCQRZWDVUEISM-PDGQHHTCSA-N
Mol Weight 446.5 g/mol
Molecular Formula C24H34N2O6
Exact Mass 446.241687 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 I5SeLf9pK8w
Name 1H-Pyrrole-3-propanoic acid, 5-[(3,4-dihydro-3,3,5-trimethyl-2H-pyrrol-2-ylidene)methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-, methyl ester, (Z)-
CAS Registry Number 89198-50-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34N2O6
InChI InChI=1S/C24H34N2O6/c1-14-13-24(5,6)18(25-14)12-17-16(11-20(28)31-8)15(9-10-19(27)30-7)21(26-17)22(29)32-23(2,3)4/h12,26H,9-11,13H2,1-8H3/b18-12-
InChIKey DXCQRZWDVUEISM-PDGQHHTCSA-N
Molecular Weight 446.544 g/mol
SMILES [nH]1c(c(c(c1C(OC(C)(C)C)=O)CCC(=O)OC)CC(=O)OC)\C=C\1N=C(C)CC1(C)C
SPLASH splash10-0006-0009300000-ce02838deecbeddfc366
Source of Spectrum KC-1987-1678-56
Synonyms 5-[4-(2-methoxycarbonylethyl)-3-methoxycarbonylmethyl-5-t-butoxycarbonylpyrrol-2-ylmethylene]-3,4-dihydro-2,4,4-trimethylpyrrole tert-butyl 4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-5-[(Z)-(3,3,5-trimethyl-3,4-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrole-2-carboxylate
Wiley ID 1386618