SpectraBase Compound ID | EJKl9GwFQnv |
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InChI | InChI=1S/C16H31NO/c1-4-5-7-12-16(18)17(3)14(2)13-15-10-8-6-9-11-15/h14-15H,4-13H2,1-3H3 |
InChIKey | PEJVBWKHIFQMJW-UHFFFAOYSA-N |
Mol Weight | 253.43 g/mol |
Molecular Formula | C16H31NO |
Exact Mass | 253.240565 g/mol |
SpectraBase Spectrum ID | LJjEaewUX3C |
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Name | Propylhexedrine hex |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 253.240564621 u |
Formula | C16H31NO |
InChI | InChI=1S/C16H31NO/c1-4-5-7-12-16(18)17(3)14(2)13-15-10-8-6-9-11-15/h14-15H,4-13H2,1-3H3 |
InChIKey | PEJVBWKHIFQMJW-UHFFFAOYSA-N |
Molecular Weight | 253.430 g/mol |
SMILES | C(N(C(CCCCC)=O)C)(CC1CCCCC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929365 |