| SpectraBase Spectrum ID |
EcXOvaBTAgH |
| Name |
2-Tert-butyl-2-(4-nitrophenyl)-1,3-dioxolane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.115758027 u |
| Formula |
C13H17NO4 |
| InChI |
InChI=1S/C13H17NO4/c1-12(2,3)13(17-8-9-18-13)10-4-6-11(7-5-10)14(15)16/h4-7H,8-9H2,1-3H3 |
| InChIKey |
UZRSBDWCDAQFRA-UHFFFAOYSA-N |
| Molecular Weight |
251.282 g/mol |
| SMILES |
C=1(N(=O)=O)C=CC(C2(C(C)(C)C)OCCO2)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929807 |
