| SpectraBase Compound ID | Ja5xQTaLWjt |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-9-4-5-12-15(18-12)7-6-11(8-14(9,15)3)10(2)13(16)17/h9,11-12H,2,4-8H2,1,3H3,(H,16,17)/t9-,11+,12?,14+,15?/m0/s1 |
| InChIKey | SLDBNJJBJWLKNM-IOTBVGTGSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 86m8doH6VLA |
|---|---|
| Name | 1,10-Epoxyeremophil-11(13)-en-12-oic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.156894565 u |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-9-4-5-12-15(18-12)7-6-11(8-14(9,15)3)10(2)13(16)17/h9,11-12H,2,4-8H2,1,3H3,(H,16,17)/t9-,11+,12?,14+,15?/m0/s1 |
| InChIKey | SLDBNJJBJWLKNM-IOTBVGTGSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | C123OC3CC[C@@]([C@]1(C[C@](C(C(=O)O)=C)(CC2)[H])C)(C)[H] |