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

*Links on SpectraBase are not permalinks.
Bis(2(S)-methylbutyl) 5-(Ethoxycarbonyl)-5-methyl-2-oxocyclohexyl Phosphate
SpectraBase Compound ID EaDQXNhYEwC
InChI InChI=1S/C20H37O6P/c1-7-15(4)13-25-27(23,26-14-16(5)8-2)18-12-20(6,11-10-17(18)21)19(22)24-9-3/h15-16,18H,7-14H2,1-6H3/t15-,16-,18?,20?/m0/s1
InChIKey AJBOOCPDHLNENN-MQFISKJYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C20H37O6P
Exact Mass 404.232776 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 4pcgfgvyaye
Name Bis(2(S)-methylbutyl) 5-(Ethoxycarbonyl)-5-methyl-2-oxocyclohexyl Phosphate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H37O6P
InChI InChI=1S/C20H37O6P/c1-7-15(4)13-25-27(23,26-14-16(5)8-2)18-12-20(6,11-10-17(18)21)19(22)24-9-3/h15-16,18H,7-14H2,1-6H3/t15-,16-,18?,20?/m0/s1
InChIKey AJBOOCPDHLNENN-MQFISKJYSA-N
Molecular Weight 404.484 g/mol
SMILES C1(P(OC[C@](CC)(C)[H])(OC[C@](CC)(C)[H])=O)CC(C(=O)OCC)(C)CCC1=O
SPLASH splash10-0k96-3912000000-563e1d5964da9ad9fcfc
Source of Spectrum J-59-8201-17
Synonyms 3-bis[(2S)-2-methylbutoxy]phosphoryl-1-methyl-4-oxo-1-cyclohexanecarboxylic acid ethyl ester Ethyl 3-bis[(2S)-2-methylbutoxy]phosphoryl-1-methyl-4-oxocyclohexane-1-carboxylate Ethyl 3-bis[(2S)-2-methylbutoxy]phosphoryl-1-methyl-4-oxo-cyclohexanecarboxylate Ethyl 3-bis[(2S)-2-methylbutoxy]phosphoryl-1-methyl-4-oxidanylidene-cyclohexane-1-carboxylate
Wiley ID 1371176