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7-Thiabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 6XJ4tc46e4s
InChI InChI=1S/C10H12O4S/c1-13-9(11)7-5-3-4-6(15-5)8(7)10(12)14-2/h3-8H,1-2H3/t5-,6+,7-,8-/m0/s1
InChIKey XCYJCLXYWBLXAD-YWIQKCBGSA-N
Mol Weight 228.26 g/mol
Molecular Formula C10H12O4S
Exact Mass 228.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2o6JUpNeG8
Name 7-Thiabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid dimethyl ester
CAS Registry Number 70485-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O4S
InChI InChI=1S/C10H12O4S/c1-13-9(11)7-5-3-4-6(15-5)8(7)10(12)14-2/h3-8H,1-2H3/t5-,6+,7-,8-/m0/s1
InChIKey XCYJCLXYWBLXAD-YWIQKCBGSA-N
Molecular Weight 228.262 g/mol
SMILES C1=C[C@@]2(S[C@]1([C@@]([C@]2(C(OC)=O)[H])(C(OC)=O)[H])[H])[H]
SPLASH splash10-0cgi-9200000000-5bb8d5616d1230c3f18d
Source of Spectrum W5-1989-8416-1
Synonyms Dimethyl 7-thiabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Wiley ID 1229203