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Phosphonic acid, P-(3-nitrophenyl)-, dioctyl ester
SpectraBase Compound ID Fsq9j0goWUY
InChI InChI=1S/C22H38NO5P/c1-3-5-7-9-11-13-18-27-29(26,28-19-14-12-10-8-6-4-2)22-17-15-16-21(20-22)23(24)25/h15-17,20H,3-14,18-19H2,1-2H3
InChIKey VGQKKBNQNXWZJH-UHFFFAOYSA-N
Mol Weight 427.5 g/mol
Molecular Formula C22H38NO5P
Exact Mass 427.24876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48ayDYNt3W3
Name Phosphonic acid, P-(3-nitrophenyl)-, dioctyl ester
Alternate Name(s) Dioctyl (3-nitrophenyl)phosphonate 1-Dioctoxyphosphoryl-3-nitrobenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38NO5P
InChI InChI=1S/C22H38NO5P/c1-3-5-7-9-11-13-18-27-29(26,28-19-14-12-10-8-6-4-2)22-17-15-16-21(20-22)23(24)25/h15-17,20H,3-14,18-19H2,1-2H3
InChIKey VGQKKBNQNXWZJH-UHFFFAOYSA-N
Molecular Weight 427.522 g/mol
SMILES CCCCCCCCOP(=O)(OCCCCCCCC)c1cccc(c1)[N+]([O-])=O
SPLASH splash10-0udi-7293000000-883e1f0c40abcf3bb138
Source of Spectrum JX-2015-4-359
Wiley ID 1725801