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Phosphoric acid, 1,3,3a,4,7,7a-hexahydro-1,3-dioxo-5-isobenzofuranyl diphenyl ester, cis-
SpectraBase Compound ID AF8SpVRVbXy
InChI InChI=1S/C20H17O7P/c21-19-17-12-11-16(13-18(17)20(22)24-19)27-28(23,25-14-7-3-1-4-8-14)26-15-9-5-2-6-10-15/h1-11,17-18H,12-13H2/t17-,18+/m1/s1
InChIKey RARJGPGKYAUYBQ-MSOLQXFVSA-N
Mol Weight 400.32 g/mol
Molecular Formula C20H17O7P
Exact Mass 400.07119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cjpq0JNIcTf
Name Phosphoric acid, 1,3,3a,4,7,7a-hexahydro-1,3-dioxo-5-isobenzofuranyl diphenyl ester, cis-
CAS Registry Number 113947-70-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17O7P
InChI InChI=1S/C20H17O7P/c21-19-17-12-11-16(13-18(17)20(22)24-19)27-28(23,25-14-7-3-1-4-8-14)26-15-9-5-2-6-10-15/h1-11,17-18H,12-13H2/t17-,18+/m1/s1
InChIKey RARJGPGKYAUYBQ-MSOLQXFVSA-N
Molecular Weight 400.323 g/mol
SMILES C1(OP(Oc2ccccc2)(Oc2ccccc2)=O)=CC[C@]2(C(=O)OC([C@]2(C1)[H])=O)[H]
SPLASH splash10-004i-6009100000-55b2d07c0a285bca9ad2
Source of Spectrum J-53-2298-11
Synonyms (3aS,7aR)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-5-yl diphenyl phosphate Diphenyl cis-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-5-isobenzofuranyl phosphate
Wiley ID 1369291