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(2R,3S)-2,3-dihydro-1H-benzo[f]thiochromene-2,3-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 8iA3vvjjoYj
InChI InChI=1S/C17H16O4S/c1-20-16(18)13-9-12-11-6-4-3-5-10(11)7-8-14(12)22-15(13)17(19)21-2/h3-8,13,15H,9H2,1-2H3/t13-,15-/m0/s1
InChIKey MVLJMGJETZFWDQ-ZFWWWQNUSA-N
Mol Weight 316.37 g/mol
Molecular Formula C17H16O4S
Exact Mass 316.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jDH6JajdjH
Name (2R,3S)-2,3-dihydro-1H-benzo[f]thiochromene-2,3-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O4S
InChI InChI=1S/C17H16O4S/c1-20-16(18)13-9-12-11-6-4-3-5-10(11)7-8-14(12)22-15(13)17(19)21-2/h3-8,13,15H,9H2,1-2H3/t13-,15-/m0/s1
InChIKey MVLJMGJETZFWDQ-ZFWWWQNUSA-N
Molecular Weight 316.371 g/mol
SMILES [C@@]1([C@](Sc2c(C1)c1c(cc2)cccc1)(C(=O)OC)[H])(C(=O)OC)[H]
SPLASH splash10-0002-0955000000-6879f9a1cb40010c366e
Source of Spectrum SO-0-328-17
Synonyms trans-Dimethyl 1H-2,3-dihydronaphtho[2,1-b]thiopyran-2,3-dicarboxylate Dimethyl (2R,3S)-2,3-dihydro-1H-benzo[f]thiochromene-2,3-dicarboxylate
Wiley ID 873500