| SpectraBase Compound ID | 4s5uzXtroD |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-2-6-11(7-3-1)13-9-5-4-8-12-10-14-12/h1-3,6-7,12H,4-5,8-10H2 |
| InChIKey | GRXXIEFDQZBSQD-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H3M6I3BJoNp |
|---|---|
| Name | Oxirane, (4-phenoxybutyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-2-6-11(7-3-1)13-9-5-4-8-12-10-14-12/h1-3,6-7,12H,4-5,8-10H2 |
| InChIKey | GRXXIEFDQZBSQD-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C1OC1CCCCOC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936795 |