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1-Adamantanecarboxamide, N-pentyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

1-Adamantanecarboxamide, N-pentyl-
SpectraBase Compound ID 2BKX5IQ5ydW
InChI InChI=1S/C16H27NO/c1-2-3-4-5-17-15(18)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,2-11H2,1H3,(H,17,18)/t12-,13+,14-,16-
InChIKey PMKAXCAPXNECQQ-FXDBZKHDSA-N
Mol Weight 249.4 g/mol
Molecular Formula C16H27NO
Exact Mass 249.209264 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FhZnZtvhi14
Name 1-Adamantanecarboxamide, N-pentyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.209264492 u
Formula C16H27NO
InChI InChI=1S/C16H27NO/c1-2-3-4-5-17-15(18)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,2-11H2,1H3,(H,17,18)/t12-,13+,14-,16-
InChIKey PMKAXCAPXNECQQ-FXDBZKHDSA-N
Molecular Weight 249.398 g/mol
SMILES [C@]12(C[C@@]3(C[C@](C2)(CC(C1)(C(=O)NCCCCC)C3)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965827