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

*Links on SpectraBase are not permalinks.
1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-5-(2-nitroethenyl)-, methyl ester
SpectraBase Compound ID G8ACsfqONzc
InChI InChI=1S/C18H24N2O8/c1-18(2,3)28-17(23)16-11(6-7-14(21)26-4)12(10-15(22)27-5)13(19-16)8-9-20(24)25/h8-9,19H,6-7,10H2,1-5H3/b9-8+
InChIKey QXKQMRUMDHZCGU-CMDGGOBGSA-N
Mol Weight 396.4 g/mol
Molecular Formula C18H24N2O8
Exact Mass 396.153266 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 AqRG17YFIfV
Name 1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-5-(2-nitroethenyl)-, methyl ester
Alternate Name(s) t-Butyl 3-(2-methoxycarbonylethyl)-4-methoxycarbonylmethyl-5-(2-nitrovinyl)pyrrole-2-carboxylate tert-Butyl 4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-5-[(E)-2-nitroethenyl]-1H-pyrrole-2-carboxylate
CAS Registry Number 113661-73-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24N2O8
InChI InChI=1S/C18H24N2O8/c1-18(2,3)28-17(23)16-11(6-7-14(21)26-4)12(10-15(22)27-5)13(19-16)8-9-20(24)25/h8-9,19H,6-7,10H2,1-5H3/b9-8+
InChIKey QXKQMRUMDHZCGU-CMDGGOBGSA-N
Molecular Weight 396.396 g/mol
SMILES [nH]1c(c(c(c1C(OC(C)(C)C)=O)CCC(=O)OC)CC(=O)OC)\C=C\N(=O)=O
SPLASH splash10-0002-0079000000-583828f9896e283acef7
Source of Spectrum KC-1987-1676-43
Wiley ID 1367292