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Methyl 2-((1-hydroxycyclohexyl)ethynyl)thiophene-3-carboxylate
SpectraBase Compound ID Grt8SL3Gxcw
InChI InChI=1S/C14H16O3S/c1-17-13(15)11-6-10-18-12(11)5-9-14(16)7-3-2-4-8-14/h6,10,16H,2-4,7-8H2,1H3
InChIKey VRBBAMVDGJVAIQ-UHFFFAOYSA-N
Mol Weight 264.34 g/mol
Molecular Formula C14H16O3S
Exact Mass 264.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7UKnoVlQIZ
Name Methyl 2-((1-hydroxycyclohexyl)ethynyl)thiophene-3-carboxylate
Appearance Yellow solid
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Formula C14H16O3S
InChI InChI=1S/C14H16O3S/c1-17-13(15)11-6-10-18-12(11)5-9-14(16)7-3-2-4-8-14/h6,10,16H,2-4,7-8H2,1H3
InChIKey VRBBAMVDGJVAIQ-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200958
Molecular Weight 264.339 g/mol
Reported Formula C14H16O3S
SMILES OC1(C#Cc2c(C(OC)=O)ccs2)CCCCC1
SPLASH splash10-000i-0940000000-862b5480331db82ef584
Source of Spectrum ASC-364-SM4-4-2
Wiley ID 1877459