| SpectraBase Compound ID | 6SUCY39Edmr |
|---|---|
| InChI | InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3/t11-,13-/m1/s1 |
| InChIKey | GYUZHTWCNKINPY-DGCLKSJQSA-N |
| Mol Weight | 194.32 g/mol |
| Molecular Formula | C13H22O |
| Exact Mass | 194.167065 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IZ7yab8XMaM |
|---|---|
| Name | Theaspirane A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H22O |
| InChI | InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3/t11-,13-/m1/s1 |
| InChIKey | GYUZHTWCNKINPY-DGCLKSJQSA-N |
| Molecular Weight | 194.318 g/mol |
| SMILES | [C@]12(O[C@](C)(CC2)[H])C(=CCCC1(C)C)C |
| SPLASH | splash10-000i-9800000000-6de4276854311f593a47 |
| Source of Spectrum | PR-1350-0-0 |
| Wiley ID | 1191453 |