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N-tert-Butyl-7',8'-dichloro-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-4a'-carboxamide

View entire compound with spectra: 1 MS (GC)

N-tert-Butyl-7',8'-dichloro-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-4a'-carboxamide
SpectraBase Compound ID 3JEW9wRFLYU
InChI InChI=1S/C23H33Cl2N3O/c1-21(2,3)28-20(29)23-12-8-5-9-19(23)22(10-6-4-7-11-22)26-17-13-15(24)16(25)14-18(17)27-23/h13-14,19,26-27H,4-12H2,1-3H3,(H,28,29)
InChIKey IZPXUZYWUQUFHW-UHFFFAOYSA-N
Mol Weight 438.4 g/mol
Molecular Formula C23H33Cl2N3O
Exact Mass 437.200068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dmqnReZRS0
Name N-tert-Butyl-7',8'-dichloro-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-4a'-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33Cl2N3O
InChI InChI=1S/C23H33Cl2N3O/c1-21(2,3)28-20(29)23-12-8-5-9-19(23)22(10-6-4-7-11-22)26-17-13-15(24)16(25)14-18(17)27-23/h13-14,19,26-27H,4-12H2,1-3H3,(H,28,29)
InChIKey IZPXUZYWUQUFHW-UHFFFAOYSA-N
Molecular Weight 438.443 g/mol
SMILES N1C2(C3C(C(=O)NC(C)(C)C)(Nc4c1cc(c(c4)Cl)Cl)CCCC3)CCCCC2
SPLASH splash10-01ox-5291000000-7fd4bbf4bcf26811d458
Source of Spectrum F-68-7832-4k
Wiley ID 1715473