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trans,trans-2,4-Hexadienyl acetate

View entire compound with spectra: 7 NMR, 5 FTIR, 1 Raman, and 5 MS (GC)

trans,trans-2,4-Hexadienyl acetate
SpectraBase Compound ID IJrW8e1lXAR
InChI InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+
InChIKey PXVKYPFROMBALG-VNKDHWASSA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTEp8LLWTY7
Name (2E,4E)-2,4-Hexadienyl acetate
Alternate Name(s) (E,E)-2,4-hexadienyl acetate Sorbyl acetate trans,trans-Hexa-2,4-dienyl acetate [(2E,4E)-hexa-2,4-dienyl] acetate [(2E,4E)-hexa-2,4-dienyl] ethanoate
CAS Registry Number 57006-69-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2
InChI InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+
InChIKey PXVKYPFROMBALG-VNKDHWASSA-N
Molecular Weight 140.182 g/mol
SMILES C\C=C\C=C\COC(C)=O
SPLASH splash10-002f-9000000000-074cabd4444d004c30e3
Source of Spectrum XW-466-0-0
Wiley ID 1139253