| SpectraBase Compound ID | KKGr9ESZDza |
|---|---|
| InChI | InChI=1S/C8H16O/c1-4-6-8(9-3)7-5-2/h6H,4-5,7H2,1-3H3/b8-6- |
| InChIKey | RHSGMVSIJHMVJX-VURMDHGXSA-N |
| Mol Weight | 128.21 g/mol |
| Molecular Formula | C8H16O |
| Exact Mass | 128.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JO2Aupq5g0I |
|---|---|
| Name | 3-Heptene, 4-methoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.120115134 u |
| Formula | C8H16O |
| InChI | InChI=1S/C8H16O/c1-4-6-8(9-3)7-5-2/h6H,4-5,7H2,1-3H3/b8-6- |
| InChIKey | RHSGMVSIJHMVJX-VURMDHGXSA-N |
| Molecular Weight | 128.215 g/mol |
| SMILES | C(\C(=C\CC)OC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.812777 |