| SpectraBase Compound ID | EzfSAL8a3ow |
|---|---|
| InChI | InChI=1S/C12H21NO2/c13-9-5-2-1-3-6-10-14-12-8-4-7-11-15-12/h12H,2,4-11,13H2 |
| InChIKey | PSQNRLDWWCKUQH-UHFFFAOYSA-N |
| Mol Weight | 211.3 g/mol |
| Molecular Formula | C12H21NO2 |
| Exact Mass | 211.157229 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | e3bOSE3Ym4 |
|---|---|
| Name | 7-Amino-1-(tetrahydropyran-2-yloxy)-3-heptyne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.157228918 u |
| Formula | C12H21NO2 |
| InChI | InChI=1S/C12H21NO2/c13-9-5-2-1-3-6-10-14-12-8-4-7-11-15-12/h12H,2,4-11,13H2 |
| InChIKey | PSQNRLDWWCKUQH-UHFFFAOYSA-N |
| Molecular Weight | 211.305 g/mol |
| SMILES | C1COC(CC1)OCCC#CCCCN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950015 |