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N-Methoxymethyl-3'-deimino-2',4'-bis(demethyl)-3'-thioxoaplysinopsin
SpectraBase Compound ID 59JAwgYlAkf
InChI InChI=1S/C15H15N3O2S/c1-17-14(19)12(16-15(17)21)7-10-8-18(9-20-2)13-6-4-3-5-11(10)13/h3-8H,9H2,1-2H3,(H,16,21)/b12-7-
InChIKey NZBPMBKSIROVSG-GHXNOFRVSA-N
Mol Weight 301.36 g/mol
Molecular Formula C15H15N3O2S
Exact Mass 301.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fc6jssjRoKq
Name N-Methoxymethyl-3'-deimino-2',4'-bis(demethyl)-3'-thioxoaplysinopsin
Comments Less than 3 mono-isotopic peaks
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Formula C15H15N3O2S
InChI InChI=1S/C15H15N3O2S/c1-17-14(19)12(16-15(17)21)7-10-8-18(9-20-2)13-6-4-3-5-11(10)13/h3-8H,9H2,1-2H3,(H,16,21)/b12-7-
InChIKey NZBPMBKSIROVSG-GHXNOFRVSA-N
Molecular Weight 301.364 g/mol
SMILES N1\C(C(N(C1=S)C)=O)=C/c1c[n](COC)c2c1cccc2
SPLASH splash10-0pb9-0908000000-94e40d1c4d5711ed333f
Source of Spectrum F-50-2251-29
Wiley ID 1303734