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1-Adamantanecarboxylic acid, 2,6-difluoro-4-bromobenzyl ester
SpectraBase Compound ID 7NsgF53E2Md
InChI InChI=1S/C18H19BrF2O2/c19-13-4-15(20)14(16(21)5-13)9-23-17(22)18-6-10-1-11(7-18)3-12(2-10)8-18/h4-5,10-12H,1-3,6-9H2/t10-,11+,12-,18-
InChIKey ZSAKMPYOOQZAEW-TTXAVTLXSA-N
Mol Weight 385.25 g/mol
Molecular Formula C18H19BrF2O2
Exact Mass 384.053649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8dWkmAgZdc
Name 1-Adamantanecarboxylic acid, 2,6-difluoro-4-bromobenzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19BrF2O2
InChI InChI=1S/C18H19BrF2O2/c19-13-4-15(20)14(16(21)5-13)9-23-17(22)18-6-10-1-11(7-18)3-12(2-10)8-18/h4-5,10-12H,1-3,6-9H2/t10-,11+,12-,18-
InChIKey ZSAKMPYOOQZAEW-TTXAVTLXSA-N
Molecular Weight 385.249 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(OCc1c(cc(cc1F)Br)F)=O
SPLASH splash10-000i-4910000000-9e012d45a88b755460e0
Source of Spectrum TIPS-2023-108-0
Wiley ID 1884816