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Dibenzo[b,d]thiepin-6,6(7H)-dicarboxylic acid, 7-phenyl-, dimethyl ester
SpectraBase Compound ID HVQbxapIO6w
InChI InChI=1S/C24H20O4S/c1-27-22(25)24(23(26)28-2)21(16-10-4-3-5-11-16)19-14-7-6-12-17(19)18-13-8-9-15-20(18)29-24/h3-15,21H,1-2H3
InChIKey UEZGABNXSNNPSY-UHFFFAOYSA-N
Mol Weight 404.48 g/mol
Molecular Formula C24H20O4S
Exact Mass 404.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EX4khKfQF8D
Name Dibenzo[b,d]thiepin-6,6(7H)-dicarboxylic acid, 7-phenyl-, dimethyl ester
Alternate Name(s) 6,6-bis(metyhoxycarbonyl)-7-phenyl-6,7-dihydrobibenzo[b,d]thiepin Dimethyl 7-phenyldibenzo[b,d]thiepin-6,6(7H)-dicarboxylate
CAS Registry Number 82202-27-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20O4S
InChI InChI=1S/C24H20O4S/c1-27-22(25)24(23(26)28-2)21(16-10-4-3-5-11-16)19-14-7-6-12-17(19)18-13-8-9-15-20(18)29-24/h3-15,21H,1-2H3
InChIKey UEZGABNXSNNPSY-UHFFFAOYSA-N
Molecular Weight 404.480 g/mol
SMILES C1(Sc2c(cccc2)-c2c(C1c1ccccc1)cccc2)(C(=O)OC)C(=O)OC
SPLASH splash10-0f8c-0696500000-bb416093ae7d93138e0e
Source of Spectrum KC-1982-922-0
Wiley ID 1371385