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(1R,3S,4S,5S)-3-[chloranyl-[[(1R,3S,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]phosphoryl]oxy-4,6,6-trimethyl-bicyclo[3.1.1]heptane

View entire compound with spectra: 1 MS (GC)

(1R,3S,4S,5S)-3-[chloranyl-[[(1R,3S,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]phosphoryl]oxy-4,6,6-trimethyl-bicyclo[3.1.1]heptane
SpectraBase Compound ID BsvlQMXFAvT
InChI InChI=1S/C20H34ClO3P/c1-11-15-7-13(19(15,3)4)9-17(11)23-25(21,22)24-18-10-14-8-16(12(18)2)20(14,5)6/h11-18H,7-10H2,1-6H3/t11-,12-,13+,14+,15-,16-,17-,18-/m0/s1
InChIKey PWWSNHXIWQRZRO-NAVXHOJHSA-N
Mol Weight 388.9 g/mol
Molecular Formula C20H34ClO3P
Exact Mass 388.19341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGSMb8XLmG
Name (1R,3S,4S,5S)-3-[chloranyl-[[(1R,3S,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]phosphoryl]oxy-4,6,6-trimethyl-bicyclo[3.1.1]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34ClO3P
InChI InChI=1S/C20H34ClO3P/c1-11-15-7-13(19(15,3)4)9-17(11)23-25(21,22)24-18-10-14-8-16(12(18)2)20(14,5)6/h11-18H,7-10H2,1-6H3/t11-,12-,13+,14+,15-,16-,17-,18-/m0/s1
InChIKey PWWSNHXIWQRZRO-NAVXHOJHSA-N
Molecular Weight 388.916 g/mol
SMILES [C@]1(OP(O[C@@]2([C@]([C@]3([H])C[C@@](C3(C)C)(C2)[H])(C)[H])[H])(=O)Cl)([C@]([C@]2([H])C[C@@](C2(C)C)(C1)[H])(C)[H])[H]
SPLASH splash10-0016-9500000000-585fafb7a14ee4764995
Source of Spectrum J-59-8200-7
Synonyms (1R,3S,4S,5S)-3-[chloro-[[(1R,3S,4S,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]oxy]phosphoryl]oxy-4,6,6-trimethylbicyclo[3.1.1]heptane (1S,2S,3S,5R)-3-[chloro-[(1S,2S,3S,5R)-2,6,6-trimethylnorpinan-3-yl]oxy-phosphoryl]oxy-2,6,6-trimethyl-norpinane
Wiley ID 1363750