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3-Cyclopentene-1-acetic acid, 2-[(2,4-dinitrophenyl)thio]-, trans-(.+-.)-
SpectraBase Compound ID 1eg0ZhmmQsQ
InChI InChI=1S/C13H12N2O6S/c16-13(17)6-8-2-1-3-11(8)22-12-5-4-9(14(18)19)7-10(12)15(20)21/h1,3-5,7-8,11H,2,6H2,(H,16,17)/t8-,11+/m0/s1
InChIKey FBWQGZQXVLPAPK-GZMMTYOYSA-N
Mol Weight 324.31 g/mol
Molecular Formula C13H12N2O6S
Exact Mass 324.041607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KO3QgMeJYIA
Name 3-Cyclopentene-1-acetic acid, 2-[(2,4-dinitrophenyl)thio]-, trans-(.+-.)-
CAS Registry Number 126497-36-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O6S
InChI InChI=1S/C13H12N2O6S/c16-13(17)6-8-2-1-3-11(8)22-12-5-4-9(14(18)19)7-10(12)15(20)21/h1,3-5,7-8,11H,2,6H2,(H,16,17)/t8-,11+/m0/s1
InChIKey FBWQGZQXVLPAPK-GZMMTYOYSA-N
Molecular Weight 324.307 g/mol
SMILES OC(C[C@]1([C@](Sc2c(N(=O)=O)cc(N(=O)=O)cc2)(C=CC1)[H])[H])=O
SPLASH splash10-0a6u-9210000000-d4ee92b5babb09b40e42
Source of Spectrum H-72-1022-25
Synonyms (1RS,2RS)-trans-2-[(2,4-dinitrophenyl)-thio]cyclopent-3-ene-1-acetic acid {(1S,2S)-2-[(2,4-dinitrophenyl)sulfanyl]-3-cyclopenten-1-yl}acetic acid
Wiley ID 1322852