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Australine
SpectraBase Compound ID IZYyRaSKwDK
InChI InChI=1S/C8H15NO4/c10-3-4-7(12)8(13)6-5(11)1-2-9(4)6/h4-8,10-13H,1-3H2/t4-,5+,6-,7-,8-/m1/s1
InChIKey AIQMLBKBQCVDEY-OZRXBMAMSA-N
Mol Weight 189.21 g/mol
Molecular Formula C8H15NO4
Exact Mass 189.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJScgkfK69O
Name Australine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15NO4
InChI InChI=1S/C8H15NO4/c10-3-4-7(12)8(13)6-5(11)1-2-9(4)6/h4-8,10-13H,1-3H2/t4-,5+,6-,7-,8-/m1/s1
InChIKey AIQMLBKBQCVDEY-OZRXBMAMSA-N
Molecular Weight 189.211 g/mol
SMILES O[C@@]1([C@@]2(N([C@](CO)([C@]1(O)[H])[H])CC[C@@]2(O)[H])[H])[H]
SPLASH splash10-0a4i-3900000000-1610911e25c36b2ce808
Source of Spectrum X2-51-1205-1
Synonyms 3-(Hydroxymethyl)-1,2,7-trihydroxypyrrolizidine (1R,2R,3R,7S,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
Wiley ID 1602958