| SpectraBase Compound ID | CGWXfWQaCuV |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-8-4-5-11(10(3)15(16)17)13-6-9(2)14(19-18)7-12(8)13/h6,8,10-14,18H,4-5,7H2,1-3H3,(H,16,17)/t8-,10-,11+,12+,13-,14-/m1/s1 |
| InChIKey | PEKJUFQEESQFKJ-MWQIOUDASA-N |
| Mol Weight | 268.35 g/mol |
| Molecular Formula | C15H24O4 |
| Exact Mass | 268.167459 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | B0uy1mj22su |
|---|---|
| Name | 3-.alpha.-Hydroperoxy-amorph-4-en-12-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H24O4 |
| InChI | InChI=1S/C15H24O4/c1-8-4-5-11(10(3)15(16)17)13-6-9(2)14(19-18)7-12(8)13/h6,8,10-14,18H,4-5,7H2,1-3H3,(H,16,17)/t8-,10-,11+,12+,13-,14-/m1/s1 |
| InChIKey | PEKJUFQEESQFKJ-MWQIOUDASA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | OC([C@@]([C@]1([C@@]2([C@@](C[C@@](OO)(C(=C2)C)[H])([C@@](CC1)(C)[H])[H])[H])[H])(C)[H])=O |
| SPLASH | splash10-01t9-0920000000-5c79120c31784713745d |
| Source of Spectrum | F-55-15134-9 |
| Synonyms | (2S)-2-[(1R,4R,4aS,6R,8aS)-6-hydroperoxy-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl]propanoic acid (2R)-2-[(1R,4R,4aS,6R,8aS)-6-hydroperoxy-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoic acid (2R)-2-[(1R,4R,4aS,6R,8aS)-6-(dioxidanyl)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoic acid |
| Wiley ID | 840345 |