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trans-4b-(p-tolyl)-2,3,4,4a,5,11a-hexahydro-1H-isoindolo[2,1-a]benzimidazol-11-one
SpectraBase Compound ID J6gvC2WkGci
InChI InChI=1S/C21H22N2O/c1-14-10-12-15(13-11-14)21-17-7-3-2-6-16(17)20(24)23(21)19-9-5-4-8-18(19)22-21/h4-5,8-13,16-17,22H,2-3,6-7H2,1H3/t16-,17-,21?/m0/s1
InChIKey BXKUJFZGSOJBEF-MVWJYJSVSA-N
Mol Weight 318.42 g/mol
Molecular Formula C21H22N2O
Exact Mass 318.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZP8nljK3Rz
Name trans-4b-(p-tolyl)-2,3,4,4a,5,11a-hexahydro-1H-isoindolo[2,1-a]benzimidazol-11-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O
InChI InChI=1S/C21H22N2O/c1-14-10-12-15(13-11-14)21-17-7-3-2-6-16(17)20(24)23(21)19-9-5-4-8-18(19)22-21/h4-5,8-13,16-17,22H,2-3,6-7H2,1H3/t16-,17-,21?/m0/s1
InChIKey BXKUJFZGSOJBEF-MVWJYJSVSA-N
Instrument Name VG Analytical MM 7070E
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290081013
Molecular Weight 318.420 g/mol
SMILES N1C2(N(c3c1cccc3)C([C@@]1([C@@]2(CCCC1)[H])[H])=O)c1ccc(cc1)C
SPLASH splash10-0a4i-1091000000-9329fe8371e431136f2c
Source of Spectrum RCM-8-860-4
Wiley ID 1835604