| SpectraBase Compound ID | 57h841IB9V6 |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-6-10(2)14(17)18-13-8-7-11(3)12(9-16)15(13,4)5/h6-9,13H,1-5H3/b10-6-/t13-/m0/s1 |
| InChIKey | VVTUCTDLMMABKL-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 | GLX3ocxJTdM |
|---|---|
| Name | (S)-3-Formyl-2,2,4-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)18-13-8-7-11(3)12(9-16)15(13,4)5/h6-9,13H,1-5H3/b10-6-/t13-/m0/s1 |
| InChIKey | VVTUCTDLMMABKL-HKBVPSITSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | C=1(C([C@](OC(\C(=C/C)C)=O)([H])C=CC1C)(C)C)C=O |
| SPLASH | splash10-003r-9100000000-e26aba838f801b9353d4 |
| Source of Spectrum | G4-61-507-4 |
| Synonyms | (1S)-5-formyl-4,6,6-trimethyl-2,4-cyclohexadien-1-yl (2Z)-2-methyl-2-butenoate (Z)-2-methyl-2-butenoic acid[(1S)-5-formyl-4,6,6-trimethyl-1-cyclohexa-2,4-dienyl]ester (Z)-2-methylbut-2-enoic acid[(1S)-5-formyl-4,6,6-trimethyl-cyclohexa-2,4-dien-1-yl]ester 3-Formyl-2,2,4-trimethyl-3,5-cyclohexadienyl Angelate [(1S)-5-formyl-4,6,6-trimethyl-cyclohexa-2,4-dien-1-yl](Z)-2-methylbut-2-enoate [(1S)-5-methanoyl-4,6,6-trimethyl-cyclohexa-2,4-dien-1-yl](Z)-2-methylbut-2-enoate (Z)-2-methyl-2-butenoic acid [(1S)-5-formyl-4,6,6-trimethyl-1-cyclohexa-2,4-dienyl] ester [(1S)-5-formyl-4,6,6-trimethylcyclohexa-2,4-dien-1-yl] (Z)-2-methylbut-2-enoate [(1S)-5-formyl-4,6,6-trimethyl-cyclohexa-2,4-dien-1-yl] (Z)-2-methylbut-2-enoate [(1S)-5-methanoyl-4,6,6-trimethyl-cyclohexa-2,4-dien-1-yl] (Z)-2-methylbut-2-enoate |
| Wiley ID | 1607212 |