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2-(2-tert-Butoxycarbonylaminobenzyl)-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile

View entire compound with spectra: 1 MS (GC)

2-(2-tert-Butoxycarbonylaminobenzyl)-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
SpectraBase Compound ID 8e82jCDBQyt
InChI InChI=1S/C22H25N3O2/c1-22(2,3)27-21(26)24-19-11-7-5-9-17(19)15-25-13-12-16-8-4-6-10-18(16)20(25)14-23/h4-11,20H,12-13,15H2,1-3H3,(H,24,26)
InChIKey HQBZMEHQJOBMLP-UHFFFAOYSA-N
Mol Weight 363.46 g/mol
Molecular Formula C22H25N3O2
Exact Mass 363.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VcNMCMLMoi
Name 2-(2-tert-Butoxycarbonylaminobenzyl)-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
Alternate Name(s) 2-[2'-(t-Butoxycarbonylamino)benzyl]-1,2,3,4-tetrahydro-isoquinoline-1-carbonitrile tert-Butyl 2-[(1-cyano-3,4-dihydro-2(1H)-isoquinolinyl)methyl]phenylcarbamate
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Formula C22H25N3O2
InChI InChI=1S/C22H25N3O2/c1-22(2,3)27-21(26)24-19-11-7-5-9-17(19)15-25-13-12-16-8-4-6-10-18(16)20(25)14-23/h4-11,20H,12-13,15H2,1-3H3,(H,24,26)
InChIKey HQBZMEHQJOBMLP-UHFFFAOYSA-N
Molecular Weight 363.461 g/mol
SMILES N(C(OC(C)(C)C)=O)c1c(CN2C(c3ccccc3CC2)C#N)cccc1
SPLASH splash10-0a59-2910000000-cc90f2850cf35cc71c97
Source of Spectrum HE-1999-1386-6
Wiley ID 1613589