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ethyl N-(3-bicyclo[1.1.1]pentanyl-oxo-phenyl-.lambda.^6-sulfanylidene)carbamate
SpectraBase Compound ID LDtEGZGpdyu
InChI InChI=1S/C14H17NO3S/c1-2-18-13(16)15-19(17,12-6-4-3-5-7-12)14-8-11(9-14)10-14/h3-7,11H,2,8-10H2,1H3
InChIKey NWTHAPVAOQANKX-UHFFFAOYSA-N
Mol Weight 279.35 g/mol
Molecular Formula C14H17NO3S
Exact Mass 279.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ijCwiSnwec
Name ethyl N-(3-bicyclo[1.1.1]pentanyl-oxo-phenyl-.lambda.^6-sulfanylidene)carbamate
Appearance White solid
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Formula C14H17NO3S
InChI InChI=1S/C14H17NO3S/c1-2-18-13(16)15-19(17,12-6-4-3-5-7-12)14-8-11(9-14)10-14/h3-7,11H,2,8-10H2,1H3
InChIKey NWTHAPVAOQANKX-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201901453
Molecular Weight 279.354 g/mol
Reported Formula C14H17NO3(32)S
SMILES C(N=S(=O)(c1ccccc1)C12CC(C2)C1)(OCC)=O
SPLASH splash10-004i-9610000000-a1fddc6585bc28168d11
Source of Spectrum ASC-362-SM26-11a
Thin-Layer Chromatography Rf = 0.56 (cHex/EtOAc, 1:1)
Wiley ID 1839419