| SpectraBase Compound ID | KAuQ3tPCVEf |
|---|---|
| InChI | InChI=1S/C9H16O/c1-8-7-9(8)5-3-2-4-6-10/h9-10H,1-7H2 |
| InChIKey | MKPGSJAIOQLRHG-UHFFFAOYSA-N |
| Mol Weight | 140.23 g/mol |
| Molecular Formula | C9H16O |
| Exact Mass | 140.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CsU7r1ihnX1 |
|---|---|
| Name | 1-Pentanol, 5-(methylenecyclopropyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.120115134 u |
| Formula | C9H16O |
| InChI | InChI=1S/C9H16O/c1-8-7-9(8)5-3-2-4-6-10/h9-10H,1-7H2 |
| InChIKey | MKPGSJAIOQLRHG-UHFFFAOYSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | C=C1CC1CCCCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857436 |