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3-(Methoxycarbonyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID EEAHutJHK7F
InChI InChI=1S/C9H10O4S/c1-13-9(12)7-5-3-2-4(14-5)6(7)8(10)11/h2-7H,1H3,(H,10,11)/t4-,5+,6+,7+/m1/s1
InChIKey CLFXEDUMUYDKOA-BWBBJGPYSA-N
Mol Weight 214.23 g/mol
Molecular Formula C9H10O4S
Exact Mass 214.02998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YCAAEe7Rlk
Name 3-(Methoxycarbonyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CAS Registry Number 70485-96-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O4S
InChI InChI=1S/C9H10O4S/c1-13-9(12)7-5-3-2-4(14-5)6(7)8(10)11/h2-7H,1H3,(H,10,11)/t4-,5+,6+,7+/m1/s1
InChIKey CLFXEDUMUYDKOA-BWBBJGPYSA-N
Molecular Weight 214.235 g/mol
SMILES OC([C@]1([C@]2(C=C[C@](S2)([C@@]1(C(OC)=O)[H])[H])[H])[H])=O
SPLASH splash10-003r-9000000000-e30d569f438c75acf3b9
Source of Spectrum W5-1989-8417-1
Synonyms 3-carbomethoxy-7-thiabicyclo[2.2.1]hept-5-ene-2-carboxylic acid Methyl hydrogen 7-thiabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
Wiley ID 1213049