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Bicyclo[9.3.1]pentadecan-15-one, 1-nitro-12-[(phenylmethyl)amino]-
SpectraBase Compound ID 56W4QCMF6ML
InChI InChI=1S/C22H32N2O3/c25-21-19-13-9-4-2-1-3-5-10-15-22(21,24(26)27)16-14-20(19)23-17-18-11-7-6-8-12-18/h6-8,11-12,19-20,23H,1-5,9-10,13-17H2
InChIKey XTBTZBIVPCAFFE-UHFFFAOYSA-N
Mol Weight 372.5 g/mol
Molecular Formula C22H32N2O3
Exact Mass 372.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhcaFe3IOhD
Name Bicyclo[9.3.1]pentadecan-15-one, 1-nitro-12-[(phenylmethyl)amino]-
Alternate Name(s) 12-(benzylamino)-1-nitrobicyclo[9.3.1]pentadecan-15-on 12-(benzylamino)-1-nitrobicyclo[9.3.1]pentadecan-15-one
CAS Registry Number 104825-56-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N2O3
InChI InChI=1S/C22H32N2O3/c25-21-19-13-9-4-2-1-3-5-10-15-22(21,24(26)27)16-14-20(19)23-17-18-11-7-6-8-12-18/h6-8,11-12,19-20,23H,1-5,9-10,13-17H2
InChIKey XTBTZBIVPCAFFE-UHFFFAOYSA-N
Molecular Weight 372.509 g/mol
SMILES N(C1CCC2(N(=O)=O)C(C1CCCCCCCCC2)=O)Cc1ccccc1
SPLASH splash10-0006-9501000000-3e8c9966499d76fc1a54
Source of Spectrum H-68-2180-8
Wiley ID 1355618