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Methyl 2-((1-hydroxycyclopentyl)ethynyl)thiophene-3-carboxylate
SpectraBase Compound ID Z8m4rOAVhU
InChI InChI=1S/C13H14O3S/c1-16-12(14)10-5-9-17-11(10)4-8-13(15)6-2-3-7-13/h5,9,15H,2-3,6-7H2,1H3
InChIKey JDZAENZWXBWZBC-UHFFFAOYSA-N
Mol Weight 250.31 g/mol
Molecular Formula C13H14O3S
Exact Mass 250.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SQwP4tFlpj
Name Methyl 2-((1-hydroxycyclopentyl)ethynyl)thiophene-3-carboxylate
Appearance Yellow solid
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Formula C13H14O3S
InChI InChI=1S/C13H14O3S/c1-16-12(14)10-5-9-17-11(10)4-8-13(15)6-2-3-7-13/h5,9,15H,2-3,6-7H2,1H3
InChIKey JDZAENZWXBWZBC-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200958
Molecular Weight 250.312 g/mol
Reported Formula C13H14O3S
SMILES OC1(C#Cc2c(C(OC)=O)ccs2)CCCC1
SPLASH splash10-00ll-0920000000-693ef602464457c39f61
Source of Spectrum ASC-364-SM4-4-3
Wiley ID 1877460