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Tricyclo[9.3.1.1(4,8)]hexadeca-1(15),4,6,8(16),11,13-hexaene-5-carboxylic acid, 12-(bromomethyl)-, methyl ester
SpectraBase Compound ID 9yxrvJt1NfJ
InChI InChI=1S/C19H19BrO2/c1-22-19(21)18-9-5-14-2-6-15-10-13(3-7-16(18)11-14)4-8-17(15)12-20/h4-5,8-11H,2-3,6-7,12H2,1H3
InChIKey BDFITHZHUPNXDP-UHFFFAOYSA-N
Mol Weight 359.26 g/mol
Molecular Formula C19H19BrO2
Exact Mass 358.056843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GV7sOhUtgym
Name Tricyclo[9.3.1.1(4,8)]hexadeca-1(15),4,6,8(16),11,13-hexaene-5-carboxylic acid, 12-(bromomethyl)-, methyl ester
CAS Registry Number 56752-71-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19BrO2
InChI InChI=1S/C19H19BrO2/c1-22-19(21)18-9-5-14-2-6-15-10-13(3-7-16(18)11-14)4-8-17(15)12-20/h4-5,8-11H,2-3,6-7,12H2,1H3
InChIKey BDFITHZHUPNXDP-UHFFFAOYSA-N
Molecular Weight 359.263 g/mol
SMILES c1(c2cc(cc1)CCc1c(CBr)ccc(c1)CC2)C(=O)OC
SPLASH splash10-0fb9-0090000000-97abfb7ecb7ac6925396
Source of Spectrum AH-106-775-17
Synonyms Methyl 12-(bromomethyl)tricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaene-5-carboxylate Methyl ester of 12-bromomethyl-[2.2]metacyclophane-4-carboxylic acid
Wiley ID 1346974