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2-Benzyl-5,6-bis(diethoxyphosphorylmethyl)-1,1,3,3-tetraethylisoisoindoline
SpectraBase Compound ID 8WtDASyTqWz
InChI InChI=1S/C33H53NO6P2/c1-9-32(10-2)30-22-28(25-41(35,37-13-5)38-14-6)29(26-42(36,39-15-7)40-16-8)23-31(30)33(11-3,12-4)34(32)24-27-20-18-17-19-21-27/h17-23H,9-16,24-26H2,1-8H3
InChIKey RSNMZAGZVNRYSG-UHFFFAOYSA-N
Mol Weight 621.7 g/mol
Molecular Formula C33H53NO6P2
Exact Mass 621.334812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GFwwdKne2r
Name 2-Benzyl-5,6-bis(diethoxyphosphorylmethyl)-1,1,3,3-tetraethylisoisoindoline
Alternate Name(s) 2-benzyl-5,6-bis(diethoxyphosphorylmethyl)-1,1,3,3-tetraethylisoindole 5,6-bis(diethoxyphosphorylmethyl)-1,1,3,3-tetraethyl-2-(phenylmethyl)isoindole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H53NO6P2
InChI InChI=1S/C33H53NO6P2/c1-9-32(10-2)30-22-28(25-41(35,37-13-5)38-14-6)29(26-42(36,39-15-7)40-16-8)23-31(30)33(11-3,12-4)34(32)24-27-20-18-17-19-21-27/h17-23H,9-16,24-26H2,1-8H3
InChIKey RSNMZAGZVNRYSG-UHFFFAOYSA-N
Molecular Weight 621.736 g/mol
SMILES C1(N(C(c2cc(c(cc12)CP(=O)(OCC)OCC)CP(=O)(OCC)OCC)(CC)CC)Cc1ccccc1)(CC)CC
SPLASH splash10-0006-0000090000-2a3c93cb760aedbcb61b
Source of Spectrum U1-2009-1912-40
Wiley ID 1662698