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1-Chloro-7-n-hexyldeca-5,9-diene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-Chloro-7-n-hexyldeca-5,9-diene
SpectraBase Compound ID GPmc4UkujQD
InChI InChI=1S/C16H29Cl/c1-3-5-6-9-13-16(12-4-2)14-10-7-8-11-15-17/h4,10,14,16H,2-3,5-9,11-13,15H2,1H3/b14-10+
InChIKey IBHGWLVSGMXPLF-GXDHUFHOSA-N
Mol Weight 256.86 g/mol
Molecular Formula C16H29Cl
Exact Mass 256.195779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9tLp5UchuvZ
Name 1-Chloro-7-N-hexyldeca-5,9-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.195778634 u
Formula C16H29Cl
InChI InChI=1S/C16H29Cl/c1-3-5-6-9-13-16(12-4-2)14-10-7-8-11-15-17/h4,10,14,16H,2-3,5-9,11-13,15H2,1H3/b14-10+
InChIKey IBHGWLVSGMXPLF-GXDHUFHOSA-N
Molecular Weight 256.861 g/mol
SMILES C(CCC\C=C\C(CC=C)CCCCCC)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915283