| SpectraBase Spectrum ID |
AotaCtCqJRM |
| Name |
2,3-Dimethyl-2-butenyl p-nitrophenyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.105193344 u |
| Formula |
C12H15NO3 |
| InChI |
InChI=1S/C12H15NO3/c1-9(2)10(3)8-16-12-6-4-11(5-7-12)13(14)15/h4-7H,8H2,1-3H3 |
| InChIKey |
PNVLMZTUJJTOAL-UHFFFAOYSA-N |
| Molecular Weight |
221.256 g/mol |
| SMILES |
C=1(N(=O)=O)C=CC(OCC(=C(C)C)C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856605 |
