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5-[N-(Ethoxycarbonyl)amino]heptanenitrile
SpectraBase Compound ID EALG7TW46OG
InChI InChI=1S/C10H18N2O2/c1-3-9(7-5-6-8-11)12-10(13)14-4-2/h9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKey WLVAFKKKTGYIOC-VIFPVBQESA-N
Mol Weight 198.27 g/mol
Molecular Formula C10H18N2O2
Exact Mass 198.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPJpXmYAyve
Name 5-[N-(Ethoxycarbonyl)amino]heptanenitrile
Alternate Name(s) ((S)-4-Cyano-1-ethyl-butyl)-carbamic acid ethyl ester 5-[N'-(Ethoxycarbonyl)amino]-heptanenitrile Ethyl 4-cyano-1-ethylbutylcarbamate
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Formula C10H18N2O2
InChI InChI=1S/C10H18N2O2/c1-3-9(7-5-6-8-11)12-10(13)14-4-2/h9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKey WLVAFKKKTGYIOC-VIFPVBQESA-N
Molecular Weight 198.266 g/mol
SMILES N(C(=O)OCC)[C@@](CC)(CCCC#N)[H]
SPLASH splash10-053u-9400000000-5a3ec67406a50934cad6
Source of Spectrum Y4-91-265-3
Wiley ID 1550559