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

*Links on SpectraBase are not permalinks.
3H-Cyclobut[b]indole-1,2-dicarboxylic acid, 2a,7b-dihydro-3-[3-methoxy-1-(methoxycarbonyl)-3-oxo-1-propenyl]-2a,7b-dimethyl-, dimethyl ester, (E)-
SpectraBase Compound ID ElVozcxmnEX
InChI InChI=1S/C22H23NO8/c1-21-12-9-7-8-10-13(12)23(14(18(25)29-4)11-15(24)28-3)22(21,2)17(20(27)31-6)16(21)19(26)30-5/h7-11H,1-6H3/b14-11+
InChIKey RCNAVVKWTGEPJR-SDNWHVSQSA-N
Mol Weight 429.43 g/mol
Molecular Formula C22H23NO8
Exact Mass 429.142367 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 3r3z4E8V4yU
Name 3H-Cyclobut[b]indole-1,2-dicarboxylic acid, 2a,7b-dihydro-3-[3-methoxy-1-(methoxycarbonyl)-3-oxo-1-propenyl]-2a,7b-dimethyl-, dimethyl ester, (E)-
CAS Registry Number 126680-53-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO8
InChI InChI=1S/C22H23NO8/c1-21-12-9-7-8-10-13(12)23(14(18(25)29-4)11-15(24)28-3)22(21,2)17(20(27)31-6)16(21)19(26)30-5/h7-11H,1-6H3/b14-11+
InChIKey RCNAVVKWTGEPJR-SDNWHVSQSA-N
Molecular Weight 429.425 g/mol
SMILES C12(C(C(=O)OC)=C(C2(c2ccccc2N1\C(=C\C(=O)OC)C(=O)OC)C)C(=O)OC)C
SPLASH splash10-001i-0910100000-4db2e163f28d0b047fb2
Source of Spectrum Y-27-858-10
Synonyms Dimethyl 2'-[6,7-bis(methoxycarbonyl)-1,5-dimethyl-3,4-benzo-2-azabicyclo[3.2.0]hepta-3,6-diene-2-yl]fumarate Dimethyl 3-[(1E)-3-methoxy-1-(methoxycarbonyl)-3-oxo-1-propenyl]-2a,7b-dimethyl-3,7b-dihydro-2aH-cyclobuta[b]indole-1,2-dicarboxylate
Wiley ID 1381153