| SpectraBase Compound ID | 77cdliaGnTr |
|---|---|
| InChI | InChI=1S/C12H16O/c1-12(2,3)11-10(13-11)9-7-5-4-6-8-9/h4-8,10-11H,1-3H3 |
| InChIKey | ABDKHVBSKTXNGR-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FQnkXkDeIU8 |
|---|---|
| Name | 2-Tert-butyl-3-phenyl-oxirane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-12(2,3)11-10(13-11)9-7-5-4-6-8-9/h4-8,10-11H,1-3H3 |
| InChIKey | ABDKHVBSKTXNGR-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C1(OC1C=1C=CC=CC1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852896 |