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(1S,2R)-1-Benzoylamino-2-[(cyanoimino)(cyclohexylamino)methoxy]-2,3-dihydro-1H-indene
SpectraBase Compound ID Hsrs0oAlhwZ
InChI InChI=1S/C24H26N4O2/c25-16-26-24(27-19-12-5-2-6-13-19)30-21-15-18-11-7-8-14-20(18)22(21)28-23(29)17-9-3-1-4-10-17/h1,3-4,7-11,14,19,21-22H,2,5-6,12-13,15H2,(H,26,27)(H,28,29)/t21-,22+/m1/s1
InChIKey MOYMYTMSGWSJOE-YADHBBJMSA-N
Mol Weight 402.5 g/mol
Molecular Formula C24H26N4O2
Exact Mass 402.205576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCSnpVfcAyl
Name (1S,2R)-1-Benzoylamino-2-[(cyanoimino)(cyclohexylamino)methoxy]-2,3-dihydro-1H-indene
Comments Less than 3 mono-isotopic peaks
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Formula C24H26N4O2
InChI InChI=1S/C24H26N4O2/c25-16-26-24(27-19-12-5-2-6-13-19)30-21-15-18-11-7-8-14-20(18)22(21)28-23(29)17-9-3-1-4-10-17/h1,3-4,7-11,14,19,21-22H,2,5-6,12-13,15H2,(H,26,27)(H,28,29)/t21-,22+/m1/s1
InChIKey MOYMYTMSGWSJOE-YADHBBJMSA-N
Molecular Weight 402.498 g/mol
SMILES N(\C(O[C@]1([C@](c2ccccc2C1)(NC(c1ccccc1)=O)[H])[H])=N/C#N)C1CCCCC1
SPLASH splash10-000i-0090000000-4822f1f24f8578b03390
Source of Spectrum F-57-9314-10
Synonyms (1S,2R)-1-(benzoylamino)-2,3-dihydro-1H-inden-2-yl N'-cyano-N-cyclohexylimidocarbamate N-cyano-N'-cyclohexylcarbamimidic acid [(1S,2R)-1-benzamido-2,3-dihydro-1H-inden-2-yl] ester [(1S,2R)-1-benzamido-2,3-dihydro-1H-inden-2-yl] N-cyano-N'-cyclohexylcarbamimidate N-[(1S,2R)-2-(N-cyano-N'-cyclohexyl-carbamimidoyl)oxyindan-1-yl]benzamide [(1S,2R)-1-benzamido-2,3-dihydro-1H-inden-2-yl] N-cyano-N'-cyclohexyl-carbamimidate
Wiley ID 1626401