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1-Adamantanecarboxylic acid, 2,5-difluorobenzyl ester
SpectraBase Compound ID 9Cl6NoSwnhk
InChI InChI=1S/C18H20F2O2/c19-15-1-2-16(20)14(6-15)10-22-17(21)18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2/t11-,12+,13-,18-
InChIKey HEAIUXUKVSZHIH-MCXHQAMOSA-N
Mol Weight 306.35 g/mol
Molecular Formula C18H20F2O2
Exact Mass 306.143136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Qyhv46KT4R
Name 1-Adamantanecarboxylic acid, 2,5-difluorobenzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20F2O2
InChI InChI=1S/C18H20F2O2/c19-15-1-2-16(20)14(6-15)10-22-17(21)18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2/t11-,12+,13-,18-
InChIKey HEAIUXUKVSZHIH-MCXHQAMOSA-N
Molecular Weight 306.353 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(OCc1c(ccc(c1)F)F)=O
SPLASH splash10-000i-4900000000-552a214e71e16ea06a09
Source of Spectrum TIPS-2023-106-0
Wiley ID 1884814