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Phosphoric acid, diethyl 2,4a,5,6,7,8,9,9a-octahydro-9-hydroxy-3,5,5,9-tetramethyl-1H-benzocyclohepten-6-yl ester, (4a.alpha.,6.beta.,9.alpha.,9a.alpha.)-(.+-.)-
SpectraBase Compound ID JFIWHVJ5pOM
InChI InChI=1S/C19H35O5P/c1-7-22-25(21,23-8-2)24-17-11-12-19(6,20)15-10-9-14(3)13-16(15)18(17,4)5/h13,15-17,20H,7-12H2,1-6H3/t15-,16+,17-,19-/m1/s1
InChIKey QZCNGLZXTQNFQN-SFNKJDCFSA-N
Mol Weight 374.5 g/mol
Molecular Formula C19H35O5P
Exact Mass 374.222211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQoit0NKxqe
Name Phosphoric acid, diethyl 2,4a,5,6,7,8,9,9a-octahydro-9-hydroxy-3,5,5,9-tetramethyl-1H-benzocyclohepten-6-yl ester, (4a.alpha.,6.beta.,9.alpha.,9a.alpha.)-(.+-.)-
Alternate Name(s) (4aR*,9aS*)-8-trans-diethoxyphosphoryloxy-4,4a,5,6,7,8,9,9a-octahydro-2,5,9,9-tetramethyl-3H-benzocyclohepten-5-ol (4aS,6R,9R,9aR)-9-hydroxy-3,5,5,9-tetramethyl-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[a]cyclohepten-6-yl diethyl phosphate
CAS Registry Number 80868-32-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H35O5P
InChI InChI=1S/C19H35O5P/c1-7-22-25(21,23-8-2)24-17-11-12-19(6,20)15-10-9-14(3)13-16(15)18(17,4)5/h13,15-17,20H,7-12H2,1-6H3/t15-,16+,17-,19-/m1/s1
InChIKey QZCNGLZXTQNFQN-SFNKJDCFSA-N
Molecular Weight 374.458 g/mol
SMILES O[C@]1([C@]2([C@@](C([C@](OP(=O)(OCC)OCC)(CC1)[H])(C)C)(C=C(CC2)C)[H])[H])C
SPLASH splash10-0a4i-0920000000-6a9da2b0aebb698736bb
Source of Spectrum H-64-2596-0
Wiley ID 1356560