SpectraBase Spectrum ID |
3MTE0t6Hupy |
Name |
Stearamide, N-(hept-2-yl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
381.397065265 u |
Formula |
C25H51NO |
InChI |
InChI=1S/C25H51NO/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-23-25(27)26-24(3)22-20-7-5-2/h24H,4-23H2,1-3H3,(H,26,27) |
InChIKey |
JMMHOGKSAATGJY-UHFFFAOYSA-N |
Molecular Weight |
381.689 g/mol |
SMILES |
C(NC(CCCCC)C)(=O)CCCCCCCCCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906009 |