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S-(4-allyl-2-methoxyphenyl) dibutylcarbamothioate
SpectraBase Compound ID LAlvC0jTelJ
InChI InChI=1S/C19H29NO2S/c1-5-8-13-20(14-9-6-2)19(21)23-18-12-11-16(10-7-3)15-17(18)22-4/h7,11-12,15H,3,5-6,8-10,13-14H2,1-2,4H3
InChIKey NUVVNNBUVBVASX-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 FBRv4EDuz63
Name S-(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(21)23-18-12-11-16(10-7-3)15-17(18)22-4/h7,11-12,15H,3,5-6,8-10,13-14H2,1-2,4H3
InChIKey NUVVNNBUVBVASX-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)SC(N(CCCC)CCCC)=O)OC)=C
SPLASH splash10-0a4i-6901000000-00e997646a0fb254af8f
Source of Spectrum ASC-363-SM8-1i
Wiley ID 1851368