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Bicyclo[2.2.1]heptane-2-carboxamide, N-butyl-3-nitro-, [1S-(2-exo,3-endo)]-
SpectraBase Compound ID Cd587eQq7T6
InChI InChI=1S/C12H20N2O3/c1-2-3-6-13-12(15)10-8-4-5-9(7-8)11(10)14(16)17/h8-11H,2-7H2,1H3,(H,13,15)/t8-,9+,10?,11?/m1/s1
InChIKey CLNOTNZQTPEIBV-MFQSTILNSA-N
Mol Weight 240.3 g/mol
Molecular Formula C12H20N2O3
Exact Mass 240.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gxjomt5gx1C
Name Bicyclo[2.2.1]heptane-2-carboxamide, N-butyl-3-nitro-, [1S-(2-exo,3-endo)]-
Alternate Name(s) N-butyl-3-nitrobicyclo[2.2.1]heptane-2-carboxamide n-Butyl-endo-3-nitrobicyclo[2.2.1]heptane-exo-2-carboxamide
CAS Registry Number 108212-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20N2O3
InChI InChI=1S/C12H20N2O3/c1-2-3-6-13-12(15)10-8-4-5-9(7-8)11(10)14(16)17/h8-11H,2-7H2,1H3,(H,13,15)/t8-,9+,10?,11?/m1/s1
InChIKey CLNOTNZQTPEIBV-MFQSTILNSA-N
Molecular Weight 240.303 g/mol
SMILES N(C(C1C(N(=O)=O)[C@@]2(C[C@]1(CC2)[H])[H])=O)CCCC
SPLASH splash10-00r6-9600000000-8316371fb0e294a2a131
Source of Spectrum J-52-2329-4
Wiley ID 1242746