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(E)-2-Ethylidene-4,4-dimethylcyclopentyl N-phenylcarbamate
SpectraBase Compound ID 5Ovu8o1p8Nf
InChI InChI=1S/C16H21NO2/c1-4-12-10-16(2,3)11-14(12)19-15(18)17-13-8-6-5-7-9-13/h4-9,14H,10-11H2,1-3H3,(H,17,18)/b12-4+
InChIKey CTECECOBMMVKRC-UUILKARUSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID La52GluCtck
Name (E)-2-Ethylidene-4,4-dimethylcyclopentyl N-phenylcarbamate
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 259.157228918 u
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-4-12-10-16(2,3)11-14(12)19-15(18)17-13-8-6-5-7-9-13/h4-9,14H,10-11H2,1-3H3,(H,17,18)/b12-4+
InChIKey CTECECOBMMVKRC-UUILKARUSA-N
Molecular Weight 259.349 g/mol
SMILES C(NC=1C=CC=CC1)(=O)OC1\C(CC(C1)(C)C)=C\C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821867