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Benzo[b]-4a,8adihydroisothiochromano[7,8-d]-6H-pyran-6-one-carboxylic Acid Methyl Ester
SpectraBase Compound ID 3ti6G5mM4u0
InChI InChI=1S/C18H16O4S/c1-21-17(19)12-8-13-16(14-9-23-7-6-10(12)14)11-4-2-3-5-15(11)22-18(13)20/h2-5,8,10,14H,6-7,9H2,1H3
InChIKey SWRHCGUIGIZKHE-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 4cbIltXuDPc
Name Benzo[b]-4a,8adihydroisothiochromano[7,8-d]-6H-pyran-6-one-carboxylic Acid Methyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O4S
InChI InChI=1S/C18H16O4S/c1-21-17(19)12-8-13-16(14-9-23-7-6-10(12)14)11-4-2-3-5-15(11)22-18(13)20/h2-5,8,10,14H,6-7,9H2,1H3
InChIKey SWRHCGUIGIZKHE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo201775e
Molecular Weight 328.382 g/mol
SMILES c1cccc2c1OC(C=1C=C(C3C(C21)CSCC3)C(OC)=O)=O
SPLASH splash10-03mi-9077000000-7c2bd8468b77522d682f
Source of Spectrum J-76-9025-74b
Synonyms Methyl 7-oxo-1,3,4,4a,7,12c-hexahydroisothiochromeno[7,8-c]chromene-5-carboxylate 7-Oxo-3,4,4a,12c-tetrahydro-1H-isothiochromeno[7,8-c][1]benzopyran-5-carboxylic acid methyl ester Methyl 7-oxo-3,4,4a,12c-tetrahydro-1H-isothiochromeno[7,8-c]chromene-5-carboxylate Methyl 7-oxidanylidene-3,4,4a,12c-tetrahydro-1H-isothiochromeno[7,8-c]chromene-5-carboxylate
Wiley ID 1746960