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4-(((3S,5S,7S)-Adamantan-1-yl)carbamoyl)phenyl trifluoromethanesulfonate
SpectraBase Compound ID 7ZO6y2CRKhm
InChI InChI=1S/C18H20F3NO4S/c19-18(20,21)27(24,25)26-15-3-1-14(2-4-15)16(23)22-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,22,23)/t11-,12+,13-,17-
InChIKey KQLHKIACDUCUBZ-FBBPANFNSA-N
Mol Weight 403.42 g/mol
Molecular Formula C18H20F3NO4S
Exact Mass 403.106514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Csahpg3KUVR
Name 4-(((3S,5S,7S)-Adamantan-1-yl)carbamoyl)phenyl trifluoromethanesulfonate
Appearance White solid
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Formula C18H20F3NO4S
InChI InChI=1S/C18H20F3NO4S/c19-18(20,21)27(24,25)26-15-3-1-14(2-4-15)16(23)22-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,22,23)/t11-,12+,13-,17-
InChIKey KQLHKIACDUCUBZ-FBBPANFNSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/chem.201702015
Molecular Weight 403.416 g/mol
Quality 215
SMILES N(C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])C(=O)C1=CC=C(C=C1)OS(C(F)(F)F)(=O)=O
SPLASH splash10-0fr2-9246300000-6f77426da4f39e7f0fa0
Source of Spectrum QE-23-13377-8b (DOI: 10.1002/chem.201702015)
Wiley ID 1905858