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Benzoic acid, 4-bromo-, 5,6-bis(methylene)bicyclo[2.2.1]hept-2-yl ester, (1S-endo)-
SpectraBase Compound ID 6UUsWK4SMrI
InChI InChI=1S/C16H15BrO2/c1-9-10(2)14-7-12(9)8-15(14)19-16(18)11-3-5-13(17)6-4-11/h3-6,12,14-15H,1-2,7-8H2/t12?,14-,15+/m0/s1
InChIKey FQGWZQOODOOOOB-JQXSQYPDSA-N
Mol Weight 319.2 g/mol
Molecular Formula C16H15BrO2
Exact Mass 318.025543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AVLAmz0y3I
Name Benzoic acid, 4-bromo-, 5,6-bis(methylene)bicyclo[2.2.1]hept-2-yl ester, (1S-endo)-
CAS Registry Number 90694-20-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15BrO2
InChI InChI=1S/C16H15BrO2/c1-9-10(2)14-7-12(9)8-15(14)19-16(18)11-3-5-13(17)6-4-11/h3-6,12,14-15H,1-2,7-8H2/t12?,14-,15+/m0/s1
InChIKey FQGWZQOODOOOOB-JQXSQYPDSA-N
Molecular Weight 319.198 g/mol
SMILES C1(C(C2C[C@@]1([C@](OC(c1ccc(cc1)Br)=O)(C2)[H])[H])=C)=C
SPLASH splash10-001r-0900000000-c9a6cd7a8d213b4a6c25
Source of Spectrum H-67-608-0
Synonyms (-)-(1S,2R)-5,6-dimethylidene-2-exo-bicyclo[2.2.1]heptyl-p-bromobenzoate (1R,2R)-5,6-dimethylenebicyclo[2.2.1]hept-2-yl 4-bromobenzoate
Wiley ID 1318272