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(12E)-12-Octadecenal

View entire compound with spectra: 1 MS (GC)

(12E)-12-Octadecenal
SpectraBase Compound ID 8GYqHrrNsog
InChI InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,18H,2-5,8-17H2,1H3/b7-6+
InChIKey CLQHJTDPGPJRQC-VOTSOKGWSA-N
Mol Weight 266.5 g/mol
Molecular Formula C18H34O
Exact Mass 266.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89FUu0KVWii
Name (12E)-12-Octadecenal
Alternate Name(s) (E)-12-octadecenal (E)-octadec-12-enal 12-Octadecenal
CAS Registry Number 56554-91-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H34O
InChI InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,18H,2-5,8-17H2,1H3/b7-6+
InChIKey CLQHJTDPGPJRQC-VOTSOKGWSA-N
Molecular Weight 266.469 g/mol
SMILES CCCCC\C=C\CCCCCCCCCCC=O
SPLASH splash10-0536-9100000000-f39236caefa2f2408c2a
Source of Spectrum EP-4977-0-0
Wiley ID 1270751