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3-Benzoyl-N-methyl-3-nitro-1,2,3,4-tetrahydronaphtho[1,8-bc]azepine
SpectraBase Compound ID 3NendbMpiex
InChI InChI=1S/C21H18N2O3/c1-22-14-21(23(25)26,20(24)16-7-3-2-4-8-16)13-17-11-5-9-15-10-6-12-18(22)19(15)17/h2-12H,13-14H2,1H3
InChIKey ANPHEIBYGXBBTN-UHFFFAOYSA-N
Mol Weight 346.39 g/mol
Molecular Formula C21H18N2O3
Exact Mass 346.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85tQPDw3D8U
Name 3-Benzoyl-N-methyl-3-nitro-1,2,3,4-tetrahydronaphtho[1,8-bc]azepine
Alternate Name(s) (1-methyl-3-nitro-1,2,3,4-tetrahydronaphtho[1,8-bc]azepin-3-yl)(phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2O3
InChI InChI=1S/C21H18N2O3/c1-22-14-21(23(25)26,20(24)16-7-3-2-4-8-16)13-17-11-5-9-15-10-6-12-18(22)19(15)17/h2-12H,13-14H2,1H3
InChIKey ANPHEIBYGXBBTN-UHFFFAOYSA-N
Molecular Weight 346.386 g/mol
SMILES C1(N(=O)=O)(CN(c2cccc3c2c(C1)ccc3)C)C(=O)c1ccccc1
SPLASH splash10-0535-0902000000-3c7fa186855e8e689ac8
Source of Spectrum F5-3-3282-30
Wiley ID 1732469