| SpectraBase Compound ID | IZdsVKKbj3K |
|---|---|
| InChI | InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1 |
| InChIKey | WTOYNNBCKUYIKC-JMSVASOKSA-N |
| Mol Weight | 218.34 g/mol |
| Molecular Formula | C15H22O |
| Exact Mass | 218.167065 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BZ0DcNuVxxG |
|---|---|
| Name | (+)-nootkatone |
| Appearance | Yellow oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22O |
| InChI | InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1 |
| InChIKey | WTOYNNBCKUYIKC-JMSVASOKSA-N |
| Instrument Name | Agilent 7890 A-5975 C |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1002/cctc.202101564 |
| Molecular Weight | 218.340 g/mol |
| SMILES | C1[C@]([C@]2(C(=CC1=O)CC[C@](C2)(C(C)=C)[H])C)(C)[H] |
| SPLASH | splash10-01yp-4910000000-3c6f18a8a2b3703baec1 |
| Source of Spectrum | CCC-14-7-2 |
| Wiley ID | 1871758 |