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(2R,3S,3aS)-3-hydroxy-2-phenyl-2,3,3a,4-tetrahydropyrazolo[1,5-a]indole-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID J5LWvHP9U0s
InChI InChI=1S/C21H24N2O3/c1-21(2,3)26-20(25)23-18(14-9-5-4-6-10-14)19(24)17-13-15-11-7-8-12-16(15)22(17)23/h4-12,17-19,24H,13H2,1-3H3/t17-,18+,19-/m0/s1
InChIKey JXDFMQJSFHWJNV-OTWHNJEPSA-N
Mol Weight 352.43 g/mol
Molecular Formula C21H24N2O3
Exact Mass 352.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrVZQEqwosH
Name (2R,3S,3aS)-3-hydroxy-2-phenyl-2,3,3a,4-tetrahydropyrazolo[1,5-a]indole-1-carboxylic acid tert-butyl ester
Alternate Name(s) (2R,3S,3aS)-3-hydroxy-2-phenyl-2,3,3a,4-tetrahydropyrazol[1,5-a]indole-1-carboxylic acid tert-butyl ester tert-Butyl (2R,3S,3aS)-3-hydroxy-2-phenyl-2,3,3a,4-tetrahydropyrazolo[1,5-a]indole-1-carboxylate tert-Butyl (2R,3S,3aS)-3-oxidanyl-2-phenyl-2,3,3a,4-tetrahydropyrazolo[1,5-a]indole-1-carboxylate
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Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/c1-21(2,3)26-20(25)23-18(14-9-5-4-6-10-14)19(24)17-13-15-11-7-8-12-16(15)22(17)23/h4-12,17-19,24H,13H2,1-3H3/t17-,18+,19-/m0/s1
InChIKey JXDFMQJSFHWJNV-OTWHNJEPSA-N
Molecular Weight 352.434 g/mol
SMILES O[C@@]1([C@](N(N2[C@]1(Cc1c2cccc1)[H])C(OC(C)(C)C)=O)(c1ccccc1)[H])[H]
SPLASH splash10-0pxr-3940000000-fcc238b6490730b42b0f
Source of Spectrum KC-0-1873-4
Wiley ID 781506