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(E)-3-[3'-(diphenylphosphinyl)-1'-methylprop-2-enyl]cycloheptanone
SpectraBase Compound ID iHAkBQdjtl
InChI InChI=1S/C23H27O2P/c1-19(20-10-8-9-11-21(24)18-20)16-17-26(25,22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-7,12-17,19-20H,8-11,18H2,1H3/b17-16+/t19-,20+/m0/s1
InChIKey NOFPEPVUXMBRBE-YIVRLKKSSA-N
Mol Weight 366.44 g/mol
Molecular Formula C23H27O2P
Exact Mass 366.174867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FahOP5EZLLq
Name (E)-3-[3'-(diphenylphosphinyl)-1'-methylprop-2-enyl]cycloheptanone
Alternate Name(s) Cycloheptanone, 3-[3-(diphenylphosphinyl)-1-methyl-2-propenyl]-, [R*,R*-(E)]-(.+-.)- (3R)-3-[(1R,2E)-3-(diphenylphosphoryl)-1-methyl-2-propenyl]cycloheptanone
CAS Registry Number 114678-96-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27O2P
InChI InChI=1S/C23H27O2P/c1-19(20-10-8-9-11-21(24)18-20)16-17-26(25,22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-7,12-17,19-20H,8-11,18H2,1H3/b17-16+/t19-,20+/m0/s1
InChIKey NOFPEPVUXMBRBE-YIVRLKKSSA-N
Molecular Weight 366.441 g/mol
SMILES [C@@](\C=C\P(=O)(c1ccccc1)c1ccccc1)([C@]1(CC(=O)CCCC1)[H])(C)[H]
SPLASH splash10-0zi0-0190000000-7c3b2d044feab75c38f9
Source of Spectrum C-110-5422-0
Wiley ID 1352209