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1-Adamantanol 4-fluorobenzoate
SpectraBase Compound ID 4KZru3QqH3d
InChI InChI=1S/C17H19FO2/c18-15-3-1-14(2-4-15)16(19)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2/t11-,12+,13-,17-
InChIKey KSCIOHGUXFNCTG-FBBPANFNSA-N
Mol Weight 274.34 g/mol
Molecular Formula C17H19FO2
Exact Mass 274.136908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Klsk4RfaZ5H
Name 1-Adamantanol 4-fluorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19FO2
InChI InChI=1S/C17H19FO2/c18-15-3-1-14(2-4-15)16(19)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2/t11-,12+,13-,17-
InChIKey KSCIOHGUXFNCTG-FBBPANFNSA-N
Literature Reference DOI 10.1039/C4RA14586K
Molecular Weight 274.335 g/mol
SMILES [C@]12(C[C@@]3(C[C@](C2)(CC(C1)(C3)OC(=O)c1ccc(cc1)F)[H])[H])[H]
SPLASH splash10-008c-4900000000-eea28c6e2af8da169d61
Source of Spectrum RSA-5-7232/SM4-3e
Synonyms (3s,5s,7s)-adamantan-1-yl 4-fluorobenzoate
Wiley ID 1805500