| SpectraBase Spectrum ID |
EmcRxO8W6qQ |
| Name |
Benzene, 1,5-bis(1,1-dimethylethyl)-2-isocyanato-3-(1-methylethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
273.209264492 u |
| Formula |
C18H27NO |
| InChI |
InChI=1S/C18H27NO/c1-12(2)14-9-13(17(3,4)5)10-15(18(6,7)8)16(14)19-11-20/h9-10,12H,1-8H3 |
| InChIKey |
FLQAKNVNANLGTO-UHFFFAOYSA-N |
| Molecular Weight |
273.420 g/mol |
| SMILES |
C=1(C(=CC(=CC1C(C)C)C(C)(C)C)C(C)(C)C)N=C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830851 |
