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(Z,Z,Z)-1-Bromooctadeca-6,9,12-triene

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

(Z,Z,Z)-1-Bromooctadeca-6,9,12-triene
SpectraBase Compound ID 4squAYA2JaJ
InChI InChI=1S/C18H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,12-13H,2-5,8,11,14-18H2,1H3/b7-6-,10-9-,13-12-
InChIKey RCEKGPZZUIICRC-QNEBEIHSSA-N
Mol Weight 327.35 g/mol
Molecular Formula C18H31Br
Exact Mass 326.160914 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 760Oo8dXMAG
Name (Z,Z,Z)-1-Bromooctadeca-6,9,12-triene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.160913998 u
Formula C18H31Br
InChI InChI=1S/C18H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,12-13H,2-5,8,11,14-18H2,1H3/b7-6-,10-9-,13-12-
InChIKey RCEKGPZZUIICRC-QNEBEIHSSA-N
Molecular Weight 327.350 g/mol
SMILES C(\C=C/C\C=C/C\C=C/CCCCC)CCCCBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934882