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(R1,R2,S3,S4,Ss)-3-Methoxycarbonyl-2-p-tolylsulfinylbicyclo[2.2.1]hept-5-en-2-carboxylic acid
SpectraBase Compound ID 7fpTMPXX5X9
InChI InChI=1S/C17H18O5S/c1-10-3-7-13(8-4-10)23(21)17(16(19)20)12-6-5-11(9-12)14(17)15(18)22-2/h3-8,11-12,14H,9H2,1-2H3,(H,19,20)/t11-,12-,14-,17+,23?/m0/s1
InChIKey YBJZCSPSRWQVFU-PQDAGUKBSA-N
Mol Weight 334.39 g/mol
Molecular Formula C17H18O5S
Exact Mass 334.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2G5FCf3He69
Name (R1,R2,S3,S4,Ss)-3-Methoxycarbonyl-2-p-tolylsulfinylbicyclo[2.2.1]hept-5-en-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O5S
InChI InChI=1S/C17H18O5S/c1-10-3-7-13(8-4-10)23(21)17(16(19)20)12-6-5-11(9-12)14(17)15(18)22-2/h3-8,11-12,14H,9H2,1-2H3,(H,19,20)/t11-,12-,14-,17+,23?/m0/s1
InChIKey YBJZCSPSRWQVFU-PQDAGUKBSA-N
Molecular Weight 334.386 g/mol
SMILES OC([C@@]1([C@@]([C@@]2(C[C@@]1(C=C2)[H])[H])(C(=O)OC)[H])S(c1ccc(cc1)C)=O)=O
SPLASH splash10-00ko-9700000000-1620e34a20ab8a830f77
Source of Spectrum QC-2-1202-6
Synonyms (R1,R2,S3,S4)-3-Methoxycarbonyl-2-p-tolylsulfinylbicyclo[2.2.1]hept-5-en-2-carboxylic acid
Wiley ID 883044