| SpectraBase Spectrum ID |
89Qo5MU1i1W |
| Name |
2-Aminocaprylic acid, N-methoxycarbonyl-, nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.272258671 u |
| Formula |
C19H37NO4 |
| InChI |
InChI=1S/C19H37NO4/c1-4-6-8-10-11-12-14-16-24-18(21)17(20-19(22)23-3)15-13-9-7-5-2/h17H,4-16H2,1-3H3,(H,20,22) |
| InChIKey |
PBHBOSRABPKVRJ-UHFFFAOYSA-N |
| Molecular Weight |
343.508 g/mol |
| SMILES |
C(CCC(NC(OC)=O)C(=O)OCCCCCCCCC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931517 |
