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(S)-[(3aS,6S,6aS)-1-tert-butyl-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-c]isoxazol-6-yl]-phenylmethanol
SpectraBase Compound ID KakJpvHo3BU
InChI InChI=1S/C23H30N2O2/c1-23(2,3)25-20-19(16-27-25)15-24(14-17-10-6-4-7-11-17)21(20)22(26)18-12-8-5-9-13-18/h4-13,19-22,26H,14-16H2,1-3H3/t19-,20+,21+,22+/m1/s1
InChIKey YJEFMRLTRHJSLM-MLNNCEHLSA-N
Mol Weight 366.51 g/mol
Molecular Formula C23H30N2O2
Exact Mass 366.230728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JCHI0LO09d
Name (S)-[(3aS,6S,6aS)-1-tert-butyl-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-c]isoxazol-6-yl]-phenylmethanol
Alternate Name(s) (S)-[(3aS,6S,6aS)-1-tert-butyl-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-c][1,2]oxazol-6-yl]-phenyl-methanol (S)-[(3aS,6S,6aS)-5-benzyl-1-tert-butyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-c]isoxazol-6-yl]-phenyl-methanol (S)-[(3aS,6S,6aS)-5-benzyl-1-tert-butyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-c][1,2]oxazol-6-yl]-phenylmethanol (S)-[(3aS,6S,6aS)-5-benzyl-1-tert-butyl-3a,4,6,6a-tetrahydro-3H-pyrrol[3,4-c]isoxazol-6-yl]-phenyl-methanol
Comments Less than 3 mono-isotopic peaks
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Formula C23H30N2O2
InChI InChI=1S/C23H30N2O2/c1-23(2,3)25-20-19(16-27-25)15-24(14-17-10-6-4-7-11-17)21(20)22(26)18-12-8-5-9-13-18/h4-13,19-22,26H,14-16H2,1-3H3/t19-,20+,21+,22+/m1/s1
InChIKey YJEFMRLTRHJSLM-MLNNCEHLSA-N
Molecular Weight 366.505 g/mol
SMILES O[C@]([C@@]1([C@]2(N(OC[C@]2(CN1Cc1ccccc1)[H])C(C)(C)C)[H])[H])(c1ccccc1)[H]
SPLASH splash10-01ox-9050000000-3c033d5edaff97ead16f
Source of Spectrum F-55-1264-12
Wiley ID 836679