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Methyl (2-endo-isobutyryl)bicyclo[2.2.1]hept-5-ene-3-endo-thiocarboxylate
SpectraBase Compound ID Cy9cu94TyNj
InChI InChI=1S/C13H18O2S/c1-7(2)12(14)10-8-4-5-9(6-8)11(10)13(15)16-3/h4-5,7-11H,6H2,1-3H3
InChIKey UMBKLMUDWAHYML-UHFFFAOYSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFRjDhxzz50
Name Methyl (2-endo-isobutyryl)bicyclo[2.2.1]hept-5-ene-3-endo-thiocarboxylate
Alternate Name(s) Methyl (2-endo-isobutyryl)bicyclo[2.2.1]hept-5-ene-3-exo-thiocarboxylate Methyl (2-exo-isobutyryl)bicyclo[2.2.1]hept-5-ene-3-endo-thiocarboxylate Methyl (2-exo-isobutyryl)bicyclo[2.2.1]hept-5-ene-3-exo-thiocarboxylate S-methyl 3-isobutyrylbicyclo[2.2.1]hept-5-ene-2-carbothioate
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Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c1-7(2)12(14)10-8-4-5-9(6-8)11(10)13(15)16-3/h4-5,7-11H,6H2,1-3H3
InChIKey UMBKLMUDWAHYML-UHFFFAOYSA-N
Molecular Weight 238.345 g/mol
SMILES C1(C2C=CC(C1C(=O)SC)C2)C(=O)C(C)C
SPLASH splash10-004l-0900000000-d577dd75e0e9bb73dd28
Source of Spectrum QA-43-182-6
Wiley ID 862235