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3,3'-(3,7-Diphenylperhydro-1,5-diaza-3,7-diphosphocine-1,7-diyl)dibenzoic acid
SpectraBase Compound ID DuLoxdQQVbl
InChI InChI=1S/C30H28N2O4P2/c33-29(34)23-9-7-11-25(17-23)31-19-37(27-13-3-1-4-14-27)20-32(26-12-8-10-24(18-26)30(35)36)22-38(21-31)28-15-5-2-6-16-28/h1-18H,19-22H2,(H,33,34)(H,35,36)
InChIKey QOOITFPTRLTDED-UHFFFAOYSA-N
Mol Weight 542.51 g/mol
Molecular Formula C30H28N2O4P2
Exact Mass 542.152431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3sOEdhEi1kc
Name 3,3'-(3,7-Diphenylperhydro-1,5-diaza-3,7-diphosphocine-1,7-diyl)dibenzoic acid
CAS Registry Number 124910-22-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28N2O4P2
InChI InChI=1S/C30H28N2O4P2/c33-29(34)23-9-7-11-25(17-23)31-19-37(27-13-3-1-4-14-27)20-32(26-12-8-10-24(18-26)30(35)36)22-38(21-31)28-15-5-2-6-16-28/h1-18H,19-22H2,(H,33,34)(H,35,36)
InChIKey QOOITFPTRLTDED-UHFFFAOYSA-N
Molecular Weight 542.512 g/mol
SMILES OC(c1cc(N2CP(CN(c3cc(C(=O)O)ccc3)CP(C2)c2ccccc2)c2ccccc2)ccc1)=O
SPLASH splash10-01r2-8900000000-dfaedcba32052c51414e
Synonyms 3-[5-(3-carboxyphenyl)-3,7-diphenyl-1,5,3,7-diazadiphosphocan-1-yl]benzoic acid
Wiley ID 1469081