| SpectraBase Compound ID | I91o2S03ava |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-2-3-9(12(13)14)8-4-5-10-11(6-8)16-7-15-10/h2,4-6,9H,1,3,7H2,(H,13,14)/t9-/m0/s1 |
| InChIKey | SKKKBGPGCFZBTK-VIFPVBQESA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQKfs7A8Usl |
|---|---|
| Name | (+)-(S)-2-(3,4-methylenedioxyphenyl)-4-pentenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-2-3-9(12(13)14)8-4-5-10-11(6-8)16-7-15-10/h2,4-6,9H,1,3,7H2,(H,13,14)/t9-/m0/s1 |
| InChIKey | SKKKBGPGCFZBTK-VIFPVBQESA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C=1(C=C2OCOC2=CC1)[C@@](C(=O)O)(CC=C)[H] |