| SpectraBase Compound ID | 1UEMRGVs4au |
|---|---|
| InChI | InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8,10,12-17H2,1-2H3/b7-5- |
| InChIKey | GVCKROLSPQFVTE-ALCCZGGFSA-N |
| Mol Weight | 234.43 g/mol |
| Molecular Formula | C17H30 |
| Exact Mass | 234.234751 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kd37fNBoDrb |
|---|---|
| Name | 3-Heptadecen-5-yne, (Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.234750966 u |
| Formula | C17H30 |
| InChI | InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8,10,12-17H2,1-2H3/b7-5- |
| InChIKey | GVCKROLSPQFVTE-ALCCZGGFSA-N |
| Molecular Weight | 234.427 g/mol |
| SMILES | C(CCCC#C\C=C/CC)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.826854 |