| SpectraBase Compound ID | Faoi0RalJYd |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-6-10(2)14(17)18-13-11(3)7-8-12(9-16)15(13,4)5/h6-9,13H,1-5H3/b10-6-/t13-/m0/s1 |
| InChIKey | VKUZHPLTRNTQEW-HKBVPSITSA-N |
| Mol Weight | 248.32 g/mol |
| Molecular Formula | C15H20O3 |
| Exact Mass | 248.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J0UOcNS5H0q |
|---|---|
| Name | (S)-3-Formyl-2,2,6-trimethyl-3,5-cyclohexadienyl Angelate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H20O3 |
| InChI | InChI=1S/C15H20O3/c1-6-10(2)14(17)18-13-11(3)7-8-12(9-16)15(13,4)5/h6-9,13H,1-5H3/b10-6-/t13-/m0/s1 |
| InChIKey | VKUZHPLTRNTQEW-HKBVPSITSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | [C@@]1(C(C(C=O)=CC=C1C)(C)C)(OC(\C(=C/C)C)=O)[H] |
| SPLASH | splash10-053r-9200000000-91ce4b1838ebffb58166 |
| Source of Spectrum | G4-61-507-3 |
| Synonyms | (1S)-5-formyl-2,6,6-trimethyl-2,4-cyclohexadien-1-yl (2Z)-2-methyl-2-butenoate (Z)-2-methyl-2-butenoic acid[(1S)-5-formyl-2,6,6-trimethyl-1-cyclohexa-2,4-dienyl]ester (Z)-2-methylbut-2-enoic acid[(1S)-5-formyl-2,6,6-trimethyl-cyclohexa-2,4-dien-1-yl]ester 3-Formyl-2,2,6-trimethyl-3,5-cyclohexadienyl Angelate [(1S)-5-formyl-2,6,6-trimethyl-cyclohexa-2,4-dien-1-yl](Z)-2-methylbut-2-enoate [(1S)-5-methanoyl-2,6,6-trimethyl-cyclohexa-2,4-dien-1-yl](Z)-2-methylbut-2-enoate (Z)-2-methyl-2-butenoic acid [(1S)-5-formyl-2,6,6-trimethyl-1-cyclohexa-2,4-dienyl] ester [(1S)-5-formyl-2,6,6-trimethylcyclohexa-2,4-dien-1-yl] (Z)-2-methylbut-2-enoate [(1S)-5-formyl-2,6,6-trimethyl-cyclohexa-2,4-dien-1-yl] (Z)-2-methylbut-2-enoate [(1S)-5-methanoyl-2,6,6-trimethyl-cyclohexa-2,4-dien-1-yl] (Z)-2-methylbut-2-enoate |
| Wiley ID | 1607213 |