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1-Fluoro-3-adamantanecarboxylic acid
SpectraBase Compound ID Kd7mAHE9WZX
InChI InChI=1S/C11H15FO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14)/t7-,8?,10+,11-/m0/s1
InChIKey SJULXDNAWKQQEV-IOQSWMPGSA-N
Mol Weight 198.24 g/mol
Molecular Formula C11H15FO2
Exact Mass 198.105608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3F8wzQC5qR
Name 1-Fluoro-3-adamantanecarboxylic acid
CAS Registry Number 880-50-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15FO2
InChI InChI=1S/C11H15FO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14)/t7-,8?,10+,11-/m0/s1
InChIKey SJULXDNAWKQQEV-IOQSWMPGSA-N
Molecular Weight 198.237 g/mol
SMILES OC([C@]12C[C@@]3(F)C[C@](C2)(CC(C1)C3)[H])=O
SPLASH splash10-0w4m-3900000000-7e77be4dbc32a28b22ab
Source of Spectrum K-117-1984-0
Synonyms 3-Adamantanecarboxylic acid, 1-fluoro- 3-Fluoranyladamantane-1-carboxylic acid 3-Fluoro-1-adamantanecarboxylic acid 3-Fluoroadamantane-1-carboxylic acid BRN 2693491
Wiley ID 1195448