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Diphosphoric acid, P,P'-dibutyl P,P'-bis(3-methyl-3-butenyl) ester
SpectraBase Compound ID 2IAwuQzJwct
InChI InChI=1S/C18H36O7P2/c1-7-9-13-21-26(19,23-15-11-17(3)4)25-27(20,22-14-10-8-2)24-16-12-18(5)6/h3,5,7-16H2,1-2,4,6H3
InChIKey MFKWVPVKCFTCLN-UHFFFAOYSA-N
Mol Weight 426.4 g/mol
Molecular Formula C18H36O7P2
Exact Mass 426.193627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uNuMR0jZni
Name Diphosphoric acid, P,P'-dibutyl P,P'-bis(3-methyl-3-butenyl) ester
Alternate Name(s) dibutyl bis(3-methyl-3-butenyl) diphosphate P1,p2-dibutyl p1,p2-bis(3-methyl-3-butenyl)pyrophosphate
CAS Registry Number 121197-87-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H36O7P2
InChI InChI=1S/C18H36O7P2/c1-7-9-13-21-26(19,23-15-11-17(3)4)25-27(20,22-14-10-8-2)24-16-12-18(5)6/h3,5,7-16H2,1-2,4,6H3
InChIKey MFKWVPVKCFTCLN-UHFFFAOYSA-N
Molecular Weight 426.427 g/mol
SMILES C(OP(OP(=O)(OCCC(=C)C)OCCCC)(=O)OCCCC)CC(=C)C
SPLASH splash10-004i-0900000000-fb38253938ffaf63e3ab
Source of Spectrum AJ-61-1711-5
Wiley ID 1379807