| SpectraBase Compound ID | 8N4VDWim84q |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h5-6H,3-4H2,1-2H3/b6-5+ |
| InChIKey | AGMKVZDPATUSMS-AATRIKPKSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8r9vkoOJmbp |
|---|---|
| Name | Ethyl trans-2-pentenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h5-6H,3-4H2,1-2H3/b6-5+ |
| InChIKey | AGMKVZDPATUSMS-AATRIKPKSA-N |
| SMILES | C(OC(=O)\C=C\CC)C |