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rac-(1S,2R,6S)-3,3-Bis(hydroxymethyl)hexahydropyrrolozine-1,2,6-triol
SpectraBase Compound ID 8PASnWvjEF5
InChI InChI=1S/C9H17NO5/c11-3-9(4-12)8(15)7(14)6-1-5(13)2-10(6)9/h5-8,11-15H,1-4H2/t5-,6-,7-,8-/m0/s1
InChIKey LLEAOHJFANGPJX-XAMCCFCMSA-N
Mol Weight 219.24 g/mol
Molecular Formula C9H17NO5
Exact Mass 219.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vxmphY93Ya
Name rac-(1S,2R,6S)-3,3-Bis(hydroxymethyl)hexahydropyrrolozine-1,2,6-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17NO5
InChI InChI=1S/C9H17NO5/c11-3-9(4-12)8(15)7(14)6-1-5(13)2-10(6)9/h5-8,11-15H,1-4H2/t5-,6-,7-,8-/m0/s1
InChIKey LLEAOHJFANGPJX-XAMCCFCMSA-N
Molecular Weight 219.237 g/mol
SMILES O[C@]1([C@]([C@]2(N(C1(CO)CO)C[C@](C2)(O)[H])[H])(O)[H])[H]
SPLASH splash10-000i-9800000000-22d674af876f49e110ef
Source of Spectrum K-2001-3414-13
Wiley ID 1580185