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1H-Cyclopenta[3,4]cyclobuta[1,2]benzene-1-carboxylic acid, 3-bromo-2,3,3a,7b-tetrahydro-, methyl ester
SpectraBase Compound ID 3itD4q0qjNz
InChI InChI=1S/C13H13BrO2/c1-16-13(15)9-6-10(14)12-8-5-3-2-4-7(8)11(9)12/h2-5,9-12H,6H2,1H3
InChIKey OBRNLVFLNNOMOH-UHFFFAOYSA-N
Mol Weight 281.15 g/mol
Molecular Formula C13H13BrO2
Exact Mass 280.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WsHB1jZra1
Name 1H-Cyclopenta[3,4]cyclobuta[1,2]benzene-1-carboxylic acid, 3-bromo-2,3,3a,7b-tetrahydro-, methyl ester
CAS Registry Number 56771-45-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13BrO2
InChI InChI=1S/C13H13BrO2/c1-16-13(15)9-6-10(14)12-8-5-3-2-4-7(8)11(9)12/h2-5,9-12H,6H2,1H3
InChIKey OBRNLVFLNNOMOH-UHFFFAOYSA-N
Molecular Weight 281.149 g/mol
SMILES COC(C1CC(C2c3ccccc3C12)Br)=O
SPLASH splash10-000x-5910000000-c59cf8a29952351f7cbf
Source of Spectrum EP-6073-0-0
Synonyms Methyl 3-bromo-2,3,3a,7b-tetrahydro-1H-cyclopenta[3,4]cyclobuta[1,2-a]benzene-1-carboxylate
Wiley ID 1283502