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Propanedioic acid, 6H-dibenzo[b,d]thiopyran-6-yl-, dimethyl ester
SpectraBase Compound ID IeJ6gXEdfu
InChI InChI=1S/C18H16O4S/c1-21-17(19)15(18(20)22-2)16-13-9-4-3-7-11(13)12-8-5-6-10-14(12)23-16/h3-10,15-16H,1-2H3
InChIKey HGURJAORDZBDTF-UHFFFAOYSA-N
Mol Weight 328.38 g/mol
Molecular Formula C18H16O4S
Exact Mass 328.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lEoisbe1EU
Name Propanedioic acid, 6H-dibenzo[b,d]thiopyran-6-yl-, dimethyl ester
CAS Registry Number 82202-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O4S
InChI InChI=1S/C18H16O4S/c1-21-17(19)15(18(20)22-2)16-13-9-4-3-7-11(13)12-8-5-6-10-14(12)23-16/h3-10,15-16H,1-2H3
InChIKey HGURJAORDZBDTF-UHFFFAOYSA-N
Molecular Weight 328.382 g/mol
SMILES C1(Sc2ccccc2-c2c1cccc2)C(C(=O)OC)C(=O)OC
SPLASH splash10-0002-0901000000-1e3e78c8b6752653700f
Source of Spectrum KC-1982-921-0
Synonyms 6H-dibenzo[b,d]thiopyran, propanedioic acid deriv. Dimethyl 2-(6H-dibenzo[b,d]thiopyran-6-yl)malonate Dimethyl 6H-dibenzo[b,d]thiopyran-6-ylmalonate
Wiley ID 1326187