| SpectraBase Compound ID | 2nHff4pen32 |
|---|---|
| InChI | InChI=1S/C14H22O2/c1-3-4-5-6-7-12-16-14-10-8-13(15-2)9-11-14/h8-11H,3-7,12H2,1-2H3 |
| InChIKey | KDCIFJQTSZSYPE-UHFFFAOYSA-N |
| Mol Weight | 222.33 g/mol |
| Molecular Formula | C14H22O2 |
| Exact Mass | 222.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D0EHpIwmgp0 |
|---|---|
| Name | Heptyl 4-methoxyphenyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.161979946 u |
| Formula | C14H22O2 |
| InChI | InChI=1S/C14H22O2/c1-3-4-5-6-7-12-16-14-10-8-13(15-2)9-11-14/h8-11H,3-7,12H2,1-2H3 |
| InChIKey | KDCIFJQTSZSYPE-UHFFFAOYSA-N |
| Molecular Weight | 222.328 g/mol |
| SMILES | C(OC1=CC=C(C=C1)OC)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92165 |