| SpectraBase Compound ID | ChgKQ4ycMEl |
|---|---|
| InChI | InChI=1S/C16H22O3/c1-9(2)11-5-6-12(16(18)19-4)15-13(8-11)10(3)7-14(15)17/h10-11,13H,1,5-8H2,2-4H3/t10-,11+,13-/m0/s1 |
| InChIKey | AGICDWBYFRFYJN-LOWVWBTDSA-N |
| Mol Weight | 262.35 g/mol |
| Molecular Formula | C16H22O3 |
| Exact Mass | 262.156895 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7IHrjnAeOmK |
|---|---|
| Name | Methyl 2-Oxoguaia-1(10),11-dien-15-oate |
| Alternate Name(s) | (1S,7R,8aS)-7-Isopropenyl-1-methyl-3-oxo-1,2,3,5,6,7,8,8a-octahydro-azulene-4-carboxylic acid methyl ester Methyl 7-isopropenyl-1-methyl-3-oxo-1,2,3,5,6,7,8,8a-octahydro-4-azulenecarboxylate (1S,7R,8aS)-1-methyl-7-(1-methylethenyl)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-azulene-4-carboxylic acid methyl ester Methyl (1S,7R,8aS)-1-methyl-3-oxo-7-prop-1-en-2-yl-2,5,6,7,8,8a-hexahydro-1H-azulene-4-carboxylate Methyl (1S,7R,8aS)-7-isopropenyl-1-methyl-3-oxo-2,5,6,7,8,8a-hexahydro-1H-azulene-4-carboxylate Methyl (1S,7R,8aS)-1-methyl-3-oxidanylidene-7-prop-1-en-2-yl-2,5,6,7,8,8a-hexahydro-1H-azulene-4-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H22O3 |
| InChI | InChI=1S/C16H22O3/c1-9(2)11-5-6-12(16(18)19-4)15-13(8-11)10(3)7-14(15)17/h10-11,13H,1,5-8H2,2-4H3/t10-,11+,13-/m0/s1 |
| InChIKey | AGICDWBYFRFYJN-LOWVWBTDSA-N |
| Molecular Weight | 262.349 g/mol |
| SMILES | C1=2[C@@](C[C@](C(=C)C)(CCC2C(=O)OC)[H])([C@@](C)(CC1=O)[H])[H] |
| SPLASH | splash10-001i-1490000000-39e5ad7d95bcdf7bb306 |
| Source of Spectrum | F-48-10275-19 |
| Wiley ID | 1266202 |