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

*Links on SpectraBase are not permalinks.

6a-Ethyl-5,6-dimethyl-4-(4-methoxybenzoyl)-3-(4-nitrophenyl)-2-thioxo-2,3-dihydro-6aH-cyclopenta[d][1,3]oxazole-5,6,6a-tricarboxylate

View entire compound with spectra: 1 MS (GC)

6a-Ethyl-5,6-dimethyl-4-(4-methoxybenzoyl)-3-(4-nitrophenyl)-2-thioxo-2,3-dihydro-6aH-cyclopenta[d][1,3]oxazole-5,6,6a-tricarboxylate
SpectraBase Compound ID B75QvTGhl2M
InChI InChI=1S/C27H22N2O11S/c1-5-39-25(33)27-20(24(32)38-4)18(23(31)37-3)19(21(30)14-6-12-17(36-2)13-7-14)22(27)28(26(41)40-27)15-8-10-16(11-9-15)29(34)35/h6-13H,5H2,1-4H3
InChIKey LDBIQJCUPHWQCZ-UHFFFAOYSA-N
Mol Weight 582.54 g/mol
Molecular Formula C27H22N2O11S
Exact Mass 582.094431 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 BFNuOFaJTLO
Name 6a-Ethyl-5,6-dimethyl-4-(4-methoxybenzoyl)-3-(4-nitrophenyl)-2-thioxo-2,3-dihydro-6aH-cyclopenta[d][1,3]oxazole-5,6,6a-tricarboxylate
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N2O11S
InChI InChI=1S/C27H22N2O11S/c1-5-39-25(33)27-20(24(32)38-4)18(23(31)37-3)19(21(30)14-6-12-17(36-2)13-7-14)22(27)28(26(41)40-27)15-8-10-16(11-9-15)29(34)35/h6-13H,5H2,1-4H3
InChIKey LDBIQJCUPHWQCZ-UHFFFAOYSA-N
Instrument Name FINNIGAN-MAT 8430
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3640
Molecular Weight 582.536 g/mol
SMILES C1(OC2(C(N1c1ccc(cc1)[N+](=O)[O-])=C(C(=C2C(=O)OC)C(OC)=O)C(=O)c1ccc(cc1)OC)C(=O)OCC)=S
SPLASH splash10-0f89-9000080000-65fadf63c1dbe5102b33
Source of Spectrum Y-56-2749-4b
Wiley ID 1859325