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{N-[ 3-(Hydroxymethyl)bicyclo[2.2.1]hept-2'-yl]methyl}-3,5-dinitrobenzamide

View entire compound with spectra: 1 MS (GC)

{N-[ 3-(Hydroxymethyl)bicyclo[2.2.1]hept-2'-yl]methyl}-3,5-dinitrobenzamide
SpectraBase Compound ID 7QLMJPm3UJL
InChI InChI=1S/C16H19N3O6/c20-8-15-10-2-1-9(3-10)14(15)7-17-16(21)11-4-12(18(22)23)6-13(5-11)19(24)25/h4-6,9-10,14-15,20H,1-3,7-8H2,(H,17,21)/t9-,10+,14-,15-/m0/s1
InChIKey ITFKQLZKRMIYMK-OWLDWWDNSA-N
Mol Weight 349.34 g/mol
Molecular Formula C16H19N3O6
Exact Mass 349.127385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8T74i69O3lS
Name {N-[ 3-(Hydroxymethyl)bicyclo[2.2.1]hept-2'-yl]methyl}-3,5-dinitrobenzamide
Alternate Name(s) N-{[3-(hydroxymethyl)bicyclo[2.2.1]hept-2-yl]methyl}-3,5-dinitrobenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N3O6
InChI InChI=1S/C16H19N3O6/c20-8-15-10-2-1-9(3-10)14(15)7-17-16(21)11-4-12(18(22)23)6-13(5-11)19(24)25/h4-6,9-10,14-15,20H,1-3,7-8H2,(H,17,21)/t9-,10+,14-,15-/m0/s1
InChIKey ITFKQLZKRMIYMK-OWLDWWDNSA-N
Molecular Weight 349.343 g/mol
SMILES N(C(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)C[C@@]1([C@@](CO)([C@]2(C[C@@]1(CC2)[H])[H])[H])[H]
SPLASH splash10-05ds-7900000000-2d0c1480310924f87ff7
Source of Spectrum H-79-891-4
Wiley ID 1341285