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1H-Dibenzo[3,4:6,7]cyclohepta[1,2-e][1,3,2]dioxaphosphepin, 5,5a,10,14b-tetrahydro-3-hydroxy-, 3-oxide, (5aR-trans)-
SpectraBase Compound ID FjvNu9s7U53
InChI InChI=1S/C17H17O4P/c18-22(19)20-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)17(16)11-21-22/h1-8,16-17H,9-11H2,(H,18,19)
InChIKey BXZCNBSWAJSITQ-UHFFFAOYSA-N
Mol Weight 316.29 g/mol
Molecular Formula C17H17O4P
Exact Mass 316.086446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxBCGDSo3IA
Name 1H-Dibenzo[3,4:6,7]cyclohepta[1,2-e][1,3,2]dioxaphosphepin, 5,5a,10,14b-tetrahydro-3-hydroxy-, 3-oxide, (5aR-trans)-
CAS Registry Number 115474-58-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17O4P
InChI InChI=1S/C17H17O4P/c18-22(19)20-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)17(16)11-21-22/h1-8,16-17H,9-11H2,(H,18,19)
InChIKey BXZCNBSWAJSITQ-UHFFFAOYSA-N
Molecular Weight 316.293 g/mol
SMILES OP1(OCC2c3c(cccc3)Cc3c(C2CO1)cccc3)=O
SPLASH splash10-0ufr-0590000000-7cc7f1d0a4fde9cf8082
Source of Spectrum F-43-4959-28
Synonyms (5aR,14bR)-5,5a,10,14,b-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-e][1,3,2]dioxaphosphepine-3-oic acid (cyclic phosphate of 16) 5,5a,10,14b-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-e][1,3,2]dioxaphosphepin-3-ol 3-oxide
Wiley ID 1316680