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O-(4-allyl-2-methoxyphenyl) dibutylcarbamothioate
SpectraBase Compound ID 9tbh0dhUkvZ
InChI InChI=1S/C19H29NO2S/c1-5-8-13-20(14-9-6-2)19(23)22-17-12-11-16(10-7-3)15-18(17)21-4/h7,11-12,15H,3,5-6,8-10,13-14H2,1-2,4H3
InChIKey LCHAJKGQNAIHDH-UHFFFAOYSA-N
Mol Weight 335.51 g/mol
Molecular Formula C19H29NO2S
Exact Mass 335.1919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JNeEFIvJbq
Name O-(4-allyl-2-methoxyphenyl) dibutylcarbamothioate
Appearance Yellowish oil
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Formula C19H29NO2S
InChI InChI=1S/C19H29NO2S/c1-5-8-13-20(14-9-6-2)19(23)22-17-12-11-16(10-7-3)15-18(17)21-4/h7,11-12,15H,3,5-6,8-10,13-14H2,1-2,4H3
InChIKey LCHAJKGQNAIHDH-UHFFFAOYSA-N
Instrument Name Bruker MS320 Triple quad
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202101178
Molecular Weight 335.506 g/mol
Reported Formula C19H29NO2S
SMILES C(Cc1cc(c(cc1)OC(N(CCCC)CCCC)=S)OC)=C
SPLASH splash10-0a4i-6901000000-ae8ca8a16aa830a1e4cb
Source of Spectrum ASC-363-SM7-1f
Wiley ID 1851365