| SpectraBase Compound ID | 3BYQRJkqffi |
|---|---|
| InChI | InChI=1S/C18H27NO2/c1-4-6-8-11-16(3)19(14-5-2)18(20)21-15-17-12-9-7-10-13-17/h5,7,9-10,12-13,16H,2,4,6,8,11,14-15H2,1,3H3 |
| InChIKey | XHNGAKLCIQRTHE-UHFFFAOYSA-N |
| Mol Weight | 289.42 g/mol |
| Molecular Formula | C18H27NO2 |
| Exact Mass | 289.204179 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6E54zqT1nxZ |
|---|---|
| Name | Carbamic acid, N-allyl-N-(hept-2-yl)-, benzyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.204179111 u |
| Formula | C18H27NO2 |
| InChI | InChI=1S/C18H27NO2/c1-4-6-8-11-16(3)19(14-5-2)18(20)21-15-17-12-9-7-10-13-17/h5,7,9-10,12-13,16H,2,4,6,8,11,14-15H2,1,3H3 |
| InChIKey | XHNGAKLCIQRTHE-UHFFFAOYSA-N |
| SMILES | C(N(C(CCCCC)C)CC=C)(=O)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946894 |