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2-exo-amino-6-methylsulfoxobicyclo[2.2.1]heptane-2-endo-carboxylic acid
SpectraBase Compound ID H91o2K0T3OD
InChI InChI=1S/C9H15NO3S/c1-14(13)7-3-6-2-5(7)4-9(6,10)8(11)12/h5-7H,2-4,10H2,1H3,(H,11,12)/t5-,6-,7+,9+,14?/m0/s1
InChIKey PGQZCMKHVLKDEL-OTGQBRLJSA-N
Mol Weight 217.28 g/mol
Molecular Formula C9H15NO3S
Exact Mass 217.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKInmXLgii5
Name 2-exo-amino-6-methylsulfoxobicyclo[2.2.1]heptane-2-endo-carboxylic acid
Alternate Name(s) 2-Amino-5-(methylsulfinyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CAS Registry Number 127641-39-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15NO3S
InChI InChI=1S/C9H15NO3S/c1-14(13)7-3-6-2-5(7)4-9(6,10)8(11)12/h5-7H,2-4,10H2,1H3,(H,11,12)/t5-,6-,7+,9+,14?/m0/s1
InChIKey PGQZCMKHVLKDEL-OTGQBRLJSA-N
Molecular Weight 217.283 g/mol
SMILES OC([C@@]1([C@@]2(C[C@]([C@](C1)(C2)[H])(S(=O)C)[H])[H])N)=O
SPLASH splash10-0udi-0900000000-897f217b649c715818d0
Source of Spectrum J-55-3802-4
Wiley ID 1216317