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4H-Naphtho[1,2-b]thiopyran-2,3-dicarboxylic acid, 5,6-dihydro-4-phenyl-, dimethyl ester

View entire compound with spectra: 1 MS (GC)

4H-Naphtho[1,2-b]thiopyran-2,3-dicarboxylic acid, 5,6-dihydro-4-phenyl-, dimethyl ester
SpectraBase Compound ID 5IEiJvOjsuh
InChI InChI=1S/C23H20O4S/c1-26-22(24)19-18(15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)20(17)28-21(19)23(25)27-2/h3-11,18H,12-13H2,1-2H3
InChIKey UCKCJVFDKXXZAG-UHFFFAOYSA-N
Mol Weight 392.47 g/mol
Molecular Formula C23H20O4S
Exact Mass 392.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0YxuH9eFF7
Name 4H-Naphtho[1,2-b]thiopyran-2,3-dicarboxylic acid, 5,6-dihydro-4-phenyl-, dimethyl ester
Alternate Name(s) 2,3-bis(methoxycarbonyl)-1-phenyl-9,10-dihydro-1H-4-thiaphenanthrene Dimethyl 4-phenyl-5,6-dihydro-4H-naphtho[1,2-b]thiopyran-2,3-dicarboxylate
CAS Registry Number 108672-33-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20O4S
InChI InChI=1S/C23H20O4S/c1-26-22(24)19-18(15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)20(17)28-21(19)23(25)27-2/h3-11,18H,12-13H2,1-2H3
InChIKey UCKCJVFDKXXZAG-UHFFFAOYSA-N
Molecular Weight 392.469 g/mol
SMILES C1(=C(SC2=C(C1c1ccccc1)CCc1ccccc21)C(=O)OC)C(=O)OC
SPLASH splash10-0159-0009000000-93661cf285195e8c4390
Source of Spectrum AJ-59-2049-8
Wiley ID 1365868