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1-Adamantanol, heptafluorobutyrate

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1-Adamantanol, heptafluorobutyrate
SpectraBase Compound ID 7gFoS3o2Vd1
InChI InChI=1S/C14H15F7O2/c15-12(16,13(17,18)14(19,20)21)10(22)23-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2/t7-,8+,9-,11-
InChIKey JLJMOCPVZRKQNK-KJZNFTALSA-N
Mol Weight 348.26 g/mol
Molecular Formula C14H15F7O2
Exact Mass 348.096027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JBWc20D9R9T
Name 1-Adamantanol, heptafluorobutyrate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.096026862 u
Formula C14H15F7O2
InChI InChI=1S/C14H15F7O2/c15-12(16,13(17,18)14(19,20)21)10(22)23-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2/t7-,8+,9-,11-
InChIKey JLJMOCPVZRKQNK-KJZNFTALSA-N
Molecular Weight 348.261 g/mol
SMILES C12(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]