| SpectraBase Spectrum ID |
3SrqBSBPPQT |
| Name |
Butyramide, 3-methyl-N-(2-phenylethyl)-N-(2-heptyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.256214686 u |
| Formula |
C20H33NO |
| InChI |
InChI=1S/C20H33NO/c1-5-6-8-11-18(4)21(20(22)16-17(2)3)15-14-19-12-9-7-10-13-19/h7,9-10,12-13,17-18H,5-6,8,11,14-16H2,1-4H3 |
| InChIKey |
LOXWDOCAOKMBNB-UHFFFAOYSA-N |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)CC(C)C)C(CCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955894 |
