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4-[5'-(1'',3''-Benzodioxol-5''-yl)methyl]-4'-cyclohexyl-2',2',3'-trimethyl-6'-oxo-perhydropyrrolo[3,4-c]pyrrol-1'-yl}benzamidine

View entire compound with spectra: 1 MS (GC)

4-[5'-(1'',3''-Benzodioxol-5''-yl)methyl]-4'-cyclohexyl-2',2',3'-trimethyl-6'-oxo-perhydropyrrolo[3,4-c]pyrrol-1'-yl}benzamidine
SpectraBase Compound ID LnxH4bD5Nu3
InChI InChI=1S/C30H38N4O3/c1-30(2)25-24(26(33(30)3)20-10-12-21(13-11-20)28(31)32)29(35)34(27(25)19-7-5-4-6-8-19)16-18-9-14-22-23(15-18)37-17-36-22/h9-15,19,24-27H,4-8,16-17H2,1-3H3,(H3,31,32)/t24?,25?,26-,27?/m0/s1
InChIKey DPOKPASLMRUDGY-ADCDNAHGSA-N
Mol Weight 502.7 g/mol
Molecular Formula C30H38N4O3
Exact Mass 502.294391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71vLQC9c5ai
Name 4-[5'-(1'',3''-Benzodioxol-5''-yl)methyl]-4'-cyclohexyl-2',2',3'-trimethyl-6'-oxo-perhydropyrrolo[3,4-c]pyrrol-1'-yl}benzamidine
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Formula C30H38N4O3
InChI InChI=1S/C30H38N4O3/c1-30(2)25-24(26(33(30)3)20-10-12-21(13-11-20)28(31)32)29(35)34(27(25)19-7-5-4-6-8-19)16-18-9-14-22-23(15-18)37-17-36-22/h9-15,19,24-27H,4-8,16-17H2,1-3H3,(H3,31,32)/t24?,25?,26-,27?/m0/s1
InChIKey DPOKPASLMRUDGY-ADCDNAHGSA-N
Molecular Weight 502.659 g/mol
SMILES N=C(c1ccc([C@@]2(N(C)C(C3C2C(N(Cc2cc4OCOc4cc2)C3C2CCCCC2)=O)(C)C)[H])cc1)N
SPLASH splash10-000i-0930510000-984e8da4a7e937f5897a
Source of Spectrum H-83-899-51
Wiley ID 847037