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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, phenylmethyl ester, (2R-trans)-
SpectraBase Compound ID 27yaHUMi2lY
InChI InChI=1S/C15H17NO3S/c1-15(2)13(16-11(17)8-12(16)20-15)14(18)19-9-10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3/t12-,13-/m1/s1
InChIKey BXTZBQFYAOSHRD-CHWSQXEVSA-N
Mol Weight 291.37 g/mol
Molecular Formula C15H17NO3S
Exact Mass 291.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fl9yNT2BZd
Name 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, phenylmethyl ester, (2R-trans)-
Alternate Name(s) Benzyl (2R,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Registry Number 124831-33-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO3S
InChI InChI=1S/C15H17NO3S/c1-15(2)13(16-11(17)8-12(16)20-15)14(18)19-9-10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3/t12-,13-/m1/s1
InChIKey BXTZBQFYAOSHRD-CHWSQXEVSA-N
Molecular Weight 291.365 g/mol
SMILES C1(N2[C@@](C1)(SC([C@]2(C(OCc1ccccc1)=O)[H])(C)C)[H])=O
SPLASH splash10-01ox-9680000000-d31261b098af9f4c482b
Source of Spectrum J-55-5114-13
Wiley ID 1294472