| SpectraBase Compound ID | CFgq3bt7dkM |
|---|---|
| InChI | InChI=1S/C12H16O/c1-3-4-5-10-13-12-8-6-11(2)7-9-12/h4-9H,3,10H2,1-2H3/b5-4+ |
| InChIKey | KHBPLNSPYAXCDQ-SNAWJCMRSA-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 | FlqJ4gAuFY1 |
|---|---|
| Name | Benzene, 1-methyl-4-(2-pentenyloxy)- |
| 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/c1-3-4-5-10-13-12-8-6-11(2)7-9-12/h4-9H,3,10H2,1-2H3/b5-4+ |
| InChIKey | KHBPLNSPYAXCDQ-SNAWJCMRSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C(\C=C\COC1=CC=C(C=C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959549 |