| SpectraBase Compound ID | LkY5JRtttc6 |
|---|---|
| InChI | InChI=1S/C12H14O/c1-3-4-7-10-13-12-9-6-5-8-11(12)2/h5-6,8-9H,3,10H2,1-2H3 |
| InChIKey | VFHLGMQCRQGGSP-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 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 | Apk1ecxX1Ca |
|---|---|
| Name | 1-Methyl-2-(pent -2-ynyloxy)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c1-3-4-7-10-13-12-9-6-5-8-11(12)2/h5-6,8-9H,3,10H2,1-2H3 |
| InChIKey | VFHLGMQCRQGGSP-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C=1(C(=CC=CC1)OCC#CCC)C |