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(6RE,6aS,7S)-6,7-Dihydroxy-hexahydropyrrilizin-2-one
SpectraBase Compound ID BTGl3Xx7Ynh
InChI InChI=1S/C7H11NO3/c9-4-1-2-8-6(11)3-5(10)7(4)8/h4-5,7,9-10H,1-3H2/t4-,5+,7+/m1/s1
InChIKey JMPKNFCQJPWCHK-ZDLURKLDSA-N
Mol Weight 157.17 g/mol
Molecular Formula C7H11NO3
Exact Mass 157.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zAwQGGKgW8
Name (6RE,6aS,7S)-6,7-Dihydroxy-hexahydropyrrilizin-2-one
Alternate Name(s) (1S,7R,7aS)-1,7-Dihydroxy-hexahydropyrrolizin-3-one (1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (1S,7R,8S)-1,7-bis(oxidanyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C7H11NO3
InChI InChI=1S/C7H11NO3/c9-4-1-2-8-6(11)3-5(10)7(4)8/h4-5,7,9-10H,1-3H2/t4-,5+,7+/m1/s1
InChIKey JMPKNFCQJPWCHK-ZDLURKLDSA-N
Molecular Weight 157.169 g/mol
SMILES O[C@@]1(CCN2[C@@]1([C@](CC2=O)(O)[H])[H])[H]
SPLASH splash10-00di-9100000000-68ff7ebea710e3018ef2
Source of Spectrum J-62-1684-14
Wiley ID 1154594