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2-Heptanamine, N-(phenylmethylene)-
SpectraBase Compound ID CXsFBb1EG5q
InChI InChI=1S/C14H21N/c1-3-4-6-9-13(2)15-12-14-10-7-5-8-11-14/h5,7-8,10-13H,3-4,6,9H2,1-2H3/b15-12+
InChIKey QWXBFTSFIWSFFH-NTCAYCPXSA-N
Mol Weight 203.33 g/mol
Molecular Formula C14H21N
Exact Mass 203.1674 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3X9E9CukvYv
Name 2-Heptanamine, N-(phenylmethylene)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.167399680 u
Formula C14H21N
InChI InChI=1S/C14H21N/c1-3-4-6-9-13(2)15-12-14-10-7-5-8-11-14/h5,7-8,10-13H,3-4,6,9H2,1-2H3/b15-12+
InChIKey QWXBFTSFIWSFFH-NTCAYCPXSA-N
Molecular Weight 203.329 g/mol
SMILES C1(\C=N\C(CCCCC)C)=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96738