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1-Adamantanecarboxamide, N-2-ethylhexyl-

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

1-Adamantanecarboxamide, N-2-ethylhexyl-
SpectraBase Compound ID 5AfDeJT5pZo
InChI InChI=1S/C19H33NO/c1-3-5-6-14(4-2)13-20-18(21)19-10-15-7-16(11-19)9-17(8-15)12-19/h14-17H,3-13H2,1-2H3,(H,20,21)/t14?,15-,16+,17-,19-
InChIKey CLFLERJFIXLRCD-ATADIKNHSA-N
Mol Weight 291.5 g/mol
Molecular Formula C19H33NO
Exact Mass 291.256215 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 94rLwlBzUKY
Name 1-Adamantanecarboxamide, N-2-ethylhexyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.256214686 u
Formula C19H33NO
InChI InChI=1S/C19H33NO/c1-3-5-6-14(4-2)13-20-18(21)19-10-15-7-16(11-19)9-17(8-15)12-19/h14-17H,3-13H2,1-2H3,(H,20,21)/t14?,15-,16+,17-,19-
InChIKey CLFLERJFIXLRCD-ATADIKNHSA-N
SMILES [C@]12(C[C@@]3(C[C@](C2)(CC(C1)(C(=O)NCC(CCCC)CC)C3)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961215