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8-(1-Adamantyl)-2-(4-methoxyphenyl)-6-methyl-4H-1,3,2-benzoxathiaphosphinine-2-sulfide
SpectraBase Compound ID GjLQGEZ3zfF
InChI InChI=1S/C25H29O2PS2/c1-16-7-20-15-30-28(29,22-5-3-21(26-2)4-6-22)27-24(20)23(8-16)25-12-17-9-18(13-25)11-19(10-17)14-25/h3-8,17-19H,9-15H2,1-2H3/t17-,18+,19-,25-,28?
InChIKey FRUPBTCRXWJQPR-VWHYDOERSA-N
Mol Weight 456.6 g/mol
Molecular Formula C25H29O2PS2
Exact Mass 456.13466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8Dr7igprcl
Name 8-(1-Adamantyl)-2-(4-methoxyphenyl)-6-methyl-4H-1,3,2-benzoxathiaphosphinine-2-sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29O2PS2
InChI InChI=1S/C25H29O2PS2/c1-16-7-20-15-30-28(29,22-5-3-21(26-2)4-6-22)27-24(20)23(8-16)25-12-17-9-18(13-25)11-19(10-17)14-25/h3-8,17-19H,9-15H2,1-2H3/t17-,18+,19-,25-,28?
InChIKey FRUPBTCRXWJQPR-VWHYDOERSA-N
Molecular Weight 456.599 g/mol
SMILES c12OP(SCc1cc(cc2C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C)(c1ccc(cc1)OC)=S
SPLASH splash10-05fr-0590800000-6e71d1992f805a01a8c7
Source of Spectrum HC-47-904-3e
Synonyms 8-((3r,5r,7r)-adamantan-1-yl)-2-(4-methoxyphenyl)-6-methyl-4H-benzo[e][1,3,2]oxathiaphosphinine 2-sulfide
Wiley ID 1734139