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Phosphoric acid, bis(2,6-dimethoxyphenyl) 1,4,4a,5,6,7,8,8a-octahydro-5-oxo-2-naphthalenyl ester, trans-
SpectraBase Compound ID LAeRCiNtChe
InChI InChI=1S/C26H31O9P/c1-29-21-10-6-11-22(30-2)25(21)34-36(28,35-26-23(31-3)12-7-13-24(26)32-4)33-18-14-15-19-17(16-18)8-5-9-20(19)27/h6-7,10-14,17,19H,5,8-9,15-16H2,1-4H3/t17-,19-/m1/s1
InChIKey VYLXUZRURLYOGG-IEBWSBKVSA-N
Mol Weight 518.5 g/mol
Molecular Formula C26H31O9P
Exact Mass 518.17057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9GDVBCToVrA
Name Phosphoric acid, bis(2,6-dimethoxyphenyl) 1,4,4a,5,6,7,8,8a-octahydro-5-oxo-2-naphthalenyl ester, trans-
CAS Registry Number 113947-80-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31O9P
InChI InChI=1S/C26H31O9P/c1-29-21-10-6-11-22(30-2)25(21)34-36(28,35-26-23(31-3)12-7-13-24(26)32-4)33-18-14-15-19-17(16-18)8-5-9-20(19)27/h6-7,10-14,17,19H,5,8-9,15-16H2,1-4H3/t17-,19-/m1/s1
InChIKey VYLXUZRURLYOGG-IEBWSBKVSA-N
Molecular Weight 518.499 g/mol
SMILES c1(OP(Oc2c(OC)cccc2OC)(OC2=CC[C@@]3([C@@](C2)(CCCC3=O)[H])[H])=O)c(OC)cccc1OC
SPLASH splash10-0udi-1953000000-acfb03aa2892a5d0a2a3
Source of Spectrum J-53-2299-22
Synonyms (4aR,8aR)-5-oxo-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl bis(2,6-dimethoxyphenyl) phosphate Bis(2,6-dimethoxyphenyl) trans-1,4,4a,5,6,7,8,8a-octahydro-5-oxo-2-naphthalenyl phosphate
Wiley ID 1401661