![Methyl {2'-(benzylamino)carbonyl]-5'-hydroxy-1'-(3"-hydroxypropyl)pentyl}-carbamate](/api/spectrum/IjqswvFlOB4/structure.png?h=300&w=458 "Methyl {2'-(benzylamino)carbonyl]-5'-hydroxy-1'-(3\"-hydroxypropyl)pentyl}-carbamate")
| SpectraBase Compound ID | CGoyL8H2VaZ |
|---|---|
| InChI | InChI=1S/C18H28N2O5/c1-25-18(24)20-16(10-6-12-22)15(9-5-11-21)17(23)19-13-14-7-3-2-4-8-14/h2-4,7-8,15-16,21-22H,5-6,9-13H2,1H3,(H,19,23)(H,20,24)/t15-,16+/m1/s1 |
| InChIKey | GWSQGNQJYJHMQT-CVEARBPZSA-N |
| Mol Weight | 352.43 g/mol |
| Molecular Formula | C18H28N2O5 |
| Exact Mass | 352.199822 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IjqswvFlOB4 |
|---|---|
| Name | Methyl {2'-(benzylamino)carbonyl]-5'-hydroxy-1'-(3""""-hydroxypropyl)pentyl}-carbamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.199822005 u |
| Formula | C18H28N2O5 |
| InChI | InChI=1S/C18H28N2O5/c1-25-18(24)20-16(10-6-12-22)15(9-5-11-21)17(23)19-13-14-7-3-2-4-8-14/h2-4,7-8,15-16,21-22H,5-6,9-13H2,1H3,(H,19,23)(H,20,24)/t15-,16+/m1/s1 |
| InChIKey | GWSQGNQJYJHMQT-CVEARBPZSA-N |
| Molecular Weight | 352.431 g/mol |
| SMILES | [C@@](C(NCC1=CC=CC=C1)=O)([C@@](NC(=O)OC)(CCCO)[H])(CCCO)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863512 |