| SpectraBase Compound ID | 5lAv9IzBssx |
|---|---|
| InChI | InChI=1S/C15H28O2/c1-13(2,16)11-6-9-14(3)7-5-8-15(4,17)12(14)10-11/h11-12,16-17H,5-10H2,1-4H3/t11-,12+,14-,15-/m1/s1 |
| InChIKey | LKKDASYGWYYFIK-AYRXBEOTSA-N |
| Mol Weight | 240.39 g/mol |
| Molecular Formula | C15H28O2 |
| Exact Mass | 240.20893 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Kl2CTfHXZhY |
|---|---|
| Name | Cryptomeridol |
| Comments | Removed - expert review (poor quality, two ions ) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H28O2 |
| InChI | InChI=1S/C15H28O2/c1-13(2,16)11-6-9-14(3)7-5-8-15(4,17)12(14)10-11/h11-12,16-17H,5-10H2,1-4H3/t11-,12+,14-,15-/m1/s1 |
| InChIKey | LKKDASYGWYYFIK-AYRXBEOTSA-N |
| Molecular Weight | 240.387 g/mol |
| SMILES | OC([C@]1(C[C@@]2([C@@](CCC[C@@]2(CC1)C)(O)C)[H])[H])(C)C |
| SPLASH | splash10-0002-0900000000-17d6ff4292ae45a2fb39 |
| Source of Spectrum | QA-42-558-11 |
| Synonyms | (1R,4aR,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol (1R,4aR,7R,8aS)-1,4a-dimethyl-7-(2-oxidanylpropan-2-yl)-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol |
| Wiley ID | 862018 |