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2-[(E)-6-Diphenylphosphoryl-4-hexenyl]-3,4-dimethyl-2-cyclohexenone
SpectraBase Compound ID DIosRMGE5ui
InChI InChI=1S/C26H31O2P/c1-21(17-18-23-11-9-10-16-26(23)27)22(2)19-20-29(28,24-12-5-3-6-13-24)25-14-7-4-8-15-25/h3-8,11-15,19,21H,9-10,16-18,20H2,1-2H3/b22-19+
InChIKey NEGLMQVKTMZWIC-ZBJSNUHESA-N
Mol Weight 406.51 g/mol
Molecular Formula C26H31O2P
Exact Mass 406.206167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYYNXpf40zp
Name 2-[(E)-6-Diphenylphosphoryl-4-hexenyl]-3,4-dimethyl-2-cyclohexenone
Alternate Name(s) 2-[(4E)-6-(diphenylphosphoryl)-4-hexenyl]-3,4-dimethyl-2-cyclohexen-1-one 2-[(E)-6-Diphenylphosphinoyl-3,4-dimethyl-4-hexenyl]-2-cyclohexenone 2-[(E)-6-diphenylphosphoryl-3,4-dimethylhex-4-enyl]-1-cyclohex-2-enone 2-[(E)-6-diphenylphosphoryl-3,4-dimethylhex-4-enyl]cyclohex-2-en-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31O2P
InChI InChI=1S/C26H31O2P/c1-21(17-18-23-11-9-10-16-26(23)27)22(2)19-20-29(28,24-12-5-3-6-13-24)25-14-7-4-8-15-25/h3-8,11-15,19,21H,9-10,16-18,20H2,1-2H3/b22-19+
InChIKey NEGLMQVKTMZWIC-ZBJSNUHESA-N
Molecular Weight 406.506 g/mol
SMILES C(P(=O)(c1ccccc1)c1ccccc1)\C=C\(C(CCC=1C(=O)CCCC1)C)C
SPLASH splash10-0udi-0090300000-72769684d6c9c9e78cb0
Source of Spectrum J-63-4157-13
Wiley ID 1372399