For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-Bromobezoic acid, 2-(1-adamantyl)ethyl ester

View entire compound with spectra: 1 NMR

2-Bromobezoic acid, 2-(1-adamantyl)ethyl ester
SpectraBase Compound ID Hrzu95UmiKY
InChI InChI=1S/C19H23BrO2/c20-17-4-2-1-3-16(17)18(21)22-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2/t13-,14+,15-,19+
InChIKey QADHQCAKJWDJOR-IZUZZMAOSA-N
Mol Weight 363.3 g/mol
Molecular Formula C19H23BrO2
Exact Mass 362.088143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DaPxAqaZm4Q
Name 2-Bromobezoic acid, 2-(1-adamantyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.088142979 u
Formula C19H23BrO2
InChI InChI=1S/C19H23BrO2/c20-17-4-2-1-3-16(17)18(21)22-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2/t13-,14+,15-,19+
InChIKey QADHQCAKJWDJOR-IZUZZMAOSA-N
Molecular Weight 363.295 g/mol
SMILES [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(=O)C1=C(C=CC=C1)Br)[H]