For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4,8,12-Tetradecatrien-1-one, 14-(acetyloxy)-2-chloro-1-(2-hydroxyphenyl)-5,9,13-trimethyl-, (E,E,E)-
SpectraBase Compound ID L5YdZScxkUc
InChI InChI=1S/C25H33ClO4/c1-18(10-8-12-20(3)17-30-21(4)27)9-7-11-19(2)15-16-23(26)25(29)22-13-5-6-14-24(22)28/h5-6,9,12-15,23,28H,7-8,10-11,16-17H2,1-4H3/b18-9+,19-15+,20-12+
InChIKey ZTDMICQITUYZHT-OSWOODOJSA-N
Mol Weight 433.0 g/mol
Molecular Formula C25H33ClO4
Exact Mass 432.206737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6mWL4ODs9xP
Name 4,8,12-Tetradecatrien-1-one, 14-(acetyloxy)-2-chloro-1-(2-hydroxyphenyl)-5,9,13-trimethyl-, (E,E,E)-
CAS Registry Number 127970-07-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33ClO4
InChI InChI=1S/C25H33ClO4/c1-18(10-8-12-20(3)17-30-21(4)27)9-7-11-19(2)15-16-23(26)25(29)22-13-5-6-14-24(22)28/h5-6,9,12-15,23,28H,7-8,10-11,16-17H2,1-4H3/b18-9+,19-15+,20-12+
InChIKey ZTDMICQITUYZHT-OSWOODOJSA-N
Molecular Weight 432.988 g/mol
SMILES Oc1c(C(=O)C(C\C=C\(CC\C=C\(CC\C=C\(COC(=O)C)C)C)C)Cl)cccc1
SPLASH splash10-00di-0900000000-b47d2208a0daa6144ed6
Source of Spectrum KC-1989-2308-5
Synonyms (2E,6E,10E)-13-chloro-14-(2-hydroxyphenyl)-2,6,10-trimethyl-14-oxo-2,6,10-tetradecatrienyl acetate (4E,8E,12E)-14-acetoxy-2-chloro-1-(2-hydroxyphenyl)-5,9,13-trimethyltetradeca-4,8,12-trien-1-one
Wiley ID 1382350