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Dimethyl 1,2,3,4-tetrahydro-1-(p-tolylsulfonyl)-2,3-naphthalenedicarboxylate isomer
SpectraBase Compound ID H8CIOxW4wpG
InChI InChI=1S/C21H22O6S/c1-13-8-10-15(11-9-13)28(24,25)19-16-7-5-4-6-14(16)12-17(20(22)26-2)18(19)21(23)27-3/h4-11,17-19H,12H2,1-3H3
InChIKey IUAJSAICXVXMOI-UHFFFAOYSA-N
Mol Weight 402.46 g/mol
Molecular Formula C21H22O6S
Exact Mass 402.11371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GxQhUzYnjV
Name Dimethyl 1,2,3,4-tetrahydro-1-(p-tolylsulfonyl)-2,3-naphthalenedicarboxylate isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O6S
InChI InChI=1S/C21H22O6S/c1-13-8-10-15(11-9-13)28(24,25)19-16-7-5-4-6-14(16)12-17(20(22)26-2)18(19)21(23)27-3/h4-11,17-19H,12H2,1-3H3
InChIKey IUAJSAICXVXMOI-UHFFFAOYSA-N
Molecular Weight 402.461 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)C(C(C(=O)OC)Cc2c1cccc2)C(=O)OC
SPLASH splash10-004i-0920000000-c568dee7170c404ffd18
Source of Spectrum J-63-2090-17
Synonyms Dimethyl 1,2,3,4-tetrahydro-1-(p-tolylsulfonyl)-2,3-naphthalenedicarboxylate Dimethyl 1-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydro-2,3-naphthalenedicarboxylate
Wiley ID 1370282