| SpectraBase Compound ID | J3cucV0H4Dr |
|---|---|
| InChI | InChI=1S/C18H21FO4/c19-15-9-4-5-10-16(15)23-18(21)12-6-11-17(20)22-13-14-7-2-1-3-8-14/h1-2,4-5,9-10,14H,3,6-8,11-13H2 |
| InChIKey | ULZHRPSFVDEUMZ-UHFFFAOYSA-N |
| Mol Weight | 320.36 g/mol |
| Molecular Formula | C18H21FO4 |
| Exact Mass | 320.142387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3VBtaB2KVvU |
|---|---|
| Name | Glutaric acid, (cyclohex-3-enyl)methyl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.142387315 u |
| Formula | C18H21FO4 |
| InChI | InChI=1S/C18H21FO4/c19-15-9-4-5-10-16(15)23-18(21)12-6-11-17(20)22-13-14-7-2-1-3-8-14/h1-2,4-5,9-10,14H,3,6-8,11-13H2 |
| InChIKey | ULZHRPSFVDEUMZ-UHFFFAOYSA-N |
| Molecular Weight | 320.360 g/mol |
| SMILES | C(CCC(OC1=CC=CC=C1F)=O)C(OCC1CC=CCC1)=O |