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(S)-2-Acetamidomethyl-1,7,7-trimethyl-3-[(p-methoxybenzyl)thioselenenyl]bicyclo[2.2.1]heptan-2-ol
SpectraBase Compound ID CjvCv1Y0usf
InChI InChI=1S/C21H31NO3SSe/c1-14(23)22-13-21(24)18(17-10-11-20(21,4)19(17,2)3)27-26-12-15-6-8-16(25-5)9-7-15/h6-9,17-18,24H,10-13H2,1-5H3,(H,22,23)/t17-,18?,20-,21?/m1/s1
InChIKey JAERWFUIJGUDMO-KJJOEJEFSA-N
Mol Weight 456.51 g/mol
Molecular Formula C21H31NO3SSe
Exact Mass 457.118987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gYKhq93wyO
Name (S)-2-Acetamidomethyl-1,7,7-trimethyl-3-[(p-methoxybenzyl)thioselenenyl]bicyclo[2.2.1]heptan-2-ol
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Formula C21H31NO3SSe
InChI InChI=1S/C21H31NO3SSe/c1-14(23)22-13-21(24)18(17-10-11-20(21,4)19(17,2)3)27-26-12-15-6-8-16(25-5)9-7-15/h6-9,17-18,24H,10-13H2,1-5H3,(H,22,23)/t17-,18?,20-,21?/m1/s1
InChIKey JAERWFUIJGUDMO-KJJOEJEFSA-N
Molecular Weight 456.515 g/mol
SMILES N(C(=O)C)CC1([C@]2(C(C)(C)[C@@](C1[Se]SCc1ccc(cc1)OC)(CC2)[H])C)O
SPLASH splash10-0ukc-3900000000-606c4ae6fad93999397c
Source of Spectrum C-119-2083-11
Synonyms 2-Acetamidomethyl-1,7,7-trimethyl-3-[(p-methoxybenzyl)thioselenenyl]bicyclo[2.2.1]heptan-2-ol N-[((1S)-2-hydroxy-3-{[(4-methoxybenzyl)sulfanyl]selanyl}-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)methyl]acetamide
Wiley ID 760235