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7-Oxabicyclo[2.2.1]heptane, phosphonic acid deriv.
SpectraBase Compound ID 92qopqZ18VB
InChI InChI=1S/C17H21O6PS/c1-4-21-24(18,22-5-2)16-14-10-11-15(23-14)17(16)25(19,20)13-8-6-12(3)7-9-13/h6-11,14-15H,4-5H2,1-3H3/t14-,15+/m0/s1
InChIKey JTFZDNSPPZXUDJ-UHFFFAOYSA-N
Mol Weight 384.38 g/mol
Molecular Formula C17H21O6PS
Exact Mass 384.079647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ElIYTja40hM
Name 7-Oxabicyclo[2.2.1]heptane, phosphonic acid deriv.
CAS Registry Number 114071-12-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21O6PS
InChI InChI=1S/C17H21O6PS/c1-4-21-24(18,22-5-2)16-14-10-11-15(23-14)17(16)25(19,20)13-8-6-12(3)7-9-13/h6-11,14-15H,4-5H2,1-3H3/t14-,15+/m0/s1
InChIKey JTFZDNSPPZXUDJ-UHFFFAOYSA-N
Molecular Weight 384.383 g/mol
SMILES C1(=C(P(=O)(OCC)OCC)[C@]2(O[C@@]1(C=C2)[H])[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-03xr-0093000000-fe26324fb3019a2f515b
Source of Spectrum KC-1987-1280-45
Synonyms Phosphonic acid, [3-[(4-methylphenyl)sulfonyl]-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl]-, diethyl ester 3-p-tolylsulphonyl-1,4-epoxycyclohexa-2,5-dien-2-ylphosphonate Diethyl 3-[(4-methylphenyl)sulfonyl]-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-ylphosphonate
Wiley ID 1361337