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Phosphoric acid, bis(2,6-dimethylphenyl) 1,3,3a,4,7,7a-hexahydro-1,3-dioxo-5-isobenzofuranyl ester, cis-
SpectraBase Compound ID 3gkMXKKGVUV
InChI InChI=1S/C24H25O7P/c1-14-7-5-8-15(2)21(14)30-32(27,31-22-16(3)9-6-10-17(22)4)29-18-11-12-19-20(13-18)24(26)28-23(19)25/h5-11,19-20H,12-13H2,1-4H3/t19-,20+/m1/s1
InChIKey KCNPMYAZDIERKV-UXHICEINSA-N
Mol Weight 456.43 g/mol
Molecular Formula C24H25O7P
Exact Mass 456.13379 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tAQmNq8Cmb
Name Phosphoric acid, bis(2,6-dimethylphenyl) 1,3,3a,4,7,7a-hexahydro-1,3-dioxo-5-isobenzofuranyl ester, cis-
CAS Registry Number 113947-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25O7P
InChI InChI=1S/C24H25O7P/c1-14-7-5-8-15(2)21(14)30-32(27,31-22-16(3)9-6-10-17(22)4)29-18-11-12-19-20(13-18)24(26)28-23(19)25/h5-11,19-20H,12-13H2,1-4H3/t19-,20+/m1/s1
InChIKey KCNPMYAZDIERKV-UXHICEINSA-N
Molecular Weight 456.431 g/mol
SMILES c1(OP(Oc2c(cccc2C)C)(OC2=CC[C@]3(C(=O)OC([C@]3(C2)[H])=O)[H])=O)c(cccc1C)C
SPLASH splash10-0563-8934100000-4670e719dad8147a3edc
Source of Spectrum J-53-2298-13
Synonyms (3aS,7aR)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-5-yl bis(2,6-dimethylphenyl) phosphate Bis(2,6-dimethylphenyl) cis-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-5-isobenzofuranyl phosphate
Wiley ID 1389254