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(1S,6S,7R,8R,8aR)-1-(2'-Chloroethyl)-1,5,6,7,8,8a-hexahydro-6,7,8-trihydroxy-3H-oxazolo[3,4-a]pyridin-3-one

View entire compound with spectra: 1 MS (GC)

(1S,6S,7R,8R,8aR)-1-(2'-Chloroethyl)-1,5,6,7,8,8a-hexahydro-6,7,8-trihydroxy-3H-oxazolo[3,4-a]pyridin-3-one
SpectraBase Compound ID I7l5ZQ2ZPzP
InChI InChI=1S/C9H14ClNO5/c10-2-1-5-6-8(14)7(13)4(12)3-11(6)9(15)16-5/h4-8,12-14H,1-3H2/t4-,5-,6-,7+,8+/m0/s1
InChIKey TZOBSCJWMQIISN-QYYLWSOASA-N
Mol Weight 251.67 g/mol
Molecular Formula C9H14ClNO5
Exact Mass 251.05605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmXHEqJy8fy
Name (1S,6S,7R,8R,8aR)-1-(2'-Chloroethyl)-1,5,6,7,8,8a-hexahydro-6,7,8-trihydroxy-3H-oxazolo[3,4-a]pyridin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14ClNO5
InChI InChI=1S/C9H14ClNO5/c10-2-1-5-6-8(14)7(13)4(12)3-11(6)9(15)16-5/h4-8,12-14H,1-3H2/t4-,5-,6-,7+,8+/m0/s1
InChIKey TZOBSCJWMQIISN-QYYLWSOASA-N
Molecular Weight 251.666 g/mol
SMILES O[C@]1([C@@]([C@](CN2[C@]1([C@@](OC2=O)(CCCl)[H])[H])(O)[H])(O)[H])[H]
SPLASH splash10-066r-0900000000-40818e59df18b22d3aee
Source of Spectrum AT-37-8575-5
Synonyms (1S,6S,7R,8R,8aR)-1-(2-chloroethyl)-6,7,8-trihydroxyhexahydro[1,3]oxazolo[3,4-a]pyridin-3-one
Wiley ID 853678