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cis-7-Bromo-8-oxo-1-azabicyclo[4.2.0]octane-7-carboxylic acid
SpectraBase Compound ID 4wIr7QwXYcV
InChI InChI=1S/C8H10BrNO3/c9-8(7(12)13)5-3-1-2-4-10(5)6(8)11/h5H,1-4H2,(H,12,13)/t5-,8+/m0/s1
InChIKey ZLIKAPJEPPVPTD-YLWLKBPMSA-N
Mol Weight 248.08 g/mol
Molecular Formula C8H10BrNO3
Exact Mass 246.984406 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BR7WJdduzq
Name cis-7-Bromo-8-oxo-1-azabicyclo[4.2.0]octane-7-carboxylic acid
CAS Registry Number 54409-87-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10BrNO3
InChI InChI=1S/C8H10BrNO3/c9-8(7(12)13)5-3-1-2-4-10(5)6(8)11/h5H,1-4H2,(H,12,13)/t5-,8+/m0/s1
InChIKey ZLIKAPJEPPVPTD-YLWLKBPMSA-N
Molecular Weight 248.076 g/mol
SMILES OC([C@@]1(C(=O)N2[C@]1(CCCC2)[H])Br)=O
SPLASH splash10-017i-2490000000-db4cdd18393fdffd96ab
Source of Spectrum J-40-1268-0
Synonyms (6S,7R)-7-bromo-8-oxo-1-azabicyclo[4.2.0]octane-7-carboxylic acid
Wiley ID 1249703