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Methyl (2-endo-valeryl)bicyclo[2.2.1]hept-5-ene-3-endo-thiocarboxylate
SpectraBase Compound ID HeGrQQfwr0z
InChI InChI=1S/C14H20O2S/c1-3-4-5-11(15)12-9-6-7-10(8-9)13(12)14(16)17-2/h6-7,9-10,12-13H,3-5,8H2,1-2H3
InChIKey PBLZXXMGCFCOEW-UHFFFAOYSA-N
Mol Weight 252.37 g/mol
Molecular Formula C14H20O2S
Exact Mass 252.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38FfhBPfbYd
Name Methyl (2-endo-valeryl)bicyclo[2.2.1]hept-5-ene-3-endo-thiocarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2S
InChI InChI=1S/C14H20O2S/c1-3-4-5-11(15)12-9-6-7-10(8-9)13(12)14(16)17-2/h6-7,9-10,12-13H,3-5,8H2,1-2H3
InChIKey PBLZXXMGCFCOEW-UHFFFAOYSA-N
Molecular Weight 252.372 g/mol
SMILES C12C(C(C(=O)CCCC)C(C2)C=C1)C(=O)SC
SPLASH splash10-000i-0920000000-e891000a69dc0b136a5c
Source of Spectrum QA-43-285-4
Synonyms Methyl (2-endo-valeryl)bicyclo[2.2.1]hept-5-ene-3-exo-thiocarboxylate Methyl (2-exo-valeryl)bicyclo[2.2.1]hept-5-ene-3-endo-thiocarboxylate Methyl (2-exo-valeryl)bicyclo[2.2.1]hept-5-ene-3-exo-thiocarboxylate S-methyl 3-pentanoylbicyclo[2.2.1]hept-5-ene-2-carbothioate
Wiley ID 862302