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7-Carboxy-8-oxo-1-azabicyclo[4.2.0]octane
SpectraBase Compound ID IkudKNphtZF
InChI InChI=1S/C8H11NO3/c10-7-6(8(11)12)5-3-1-2-4-9(5)7/h5-6H,1-4H2,(H,11,12)
InChIKey SXVSDPLZRROXJM-UHFFFAOYSA-N
Mol Weight 169.18 g/mol
Molecular Formula C8H11NO3
Exact Mass 169.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UJpLyKlthK
Name 7-Carboxy-8-oxo-1-azabicyclo[4.2.0]octane
CAS Registry Number 42599-31-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NO3
InChI InChI=1S/C8H11NO3/c10-7-6(8(11)12)5-3-1-2-4-9(5)7/h5-6H,1-4H2,(H,11,12)
InChIKey SXVSDPLZRROXJM-UHFFFAOYSA-N
Molecular Weight 169.180 g/mol
SMILES OC(C1C(N2CCCCC12)=O)=O
SPLASH splash10-006x-1900000000-225bd7c0af6d36b0db39
Source of Spectrum J-40-1268-0
Synonyms 8-Oxo-1-azabicyclo[4.2.0]octane-7-carboxylic acid
Wiley ID 1165703