| SpectraBase Compound ID | 2VIU0tZXVDr |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-3,5,8,11H,4,6-7,9H2,1H3 |
| InChIKey | VYKXUIQNMSKSGL-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8hiI2rCU7cg |
|---|---|
| Name | 1,2,3,4-Tetrahydro-1-ethanoicacid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-3,5,8,11H,4,6-7,9H2,1H3 |
| InChIKey | VYKXUIQNMSKSGL-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C(=O)(OC)CC1CCCC=2C=CC=CC12 |