| SpectraBase Compound ID | 9JzyIW0d9DO |
|---|---|
| InChI | InChI=1S/C16H24O3/c1-9(2)11-5-6-12(16(18)19-4)15-13(8-11)10(3)7-14(15)17/h10-11,13-14,17H,1,5-8H2,2-4H3/t10-,11+,13-,14-/m0/s1 |
| InChIKey | YMBGAHCCHHAQRA-XCCSTKFXSA-N |
| Mol Weight | 264.36 g/mol |
| Molecular Formula | C16H24O3 |
| Exact Mass | 264.172545 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2j1xSxWg3Rz |
|---|---|
| Name | (1S,3S,7R,8aS)-3-hydroxy-1-methyl-7-(1-methylethenyl)-1,2,3,5,6,7,8,8a-octahydroazulene-4-carboxylic acid methyl ester |
| Alternate Name(s) | (1S,3S,7R,8aS)-3-hydroxy-7-isopropenyl-1-methyl-1,2,3,5,6,7,8,8a-octahydroazulene-4-carboxylic acid methyl ester Methyl (1S,3S,7R,8aS)-1-methyl-3-oxidanyl-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroazulene-4-carboxylate Methyl (1S,3S,7R,8aS)-3-hydroxy-1-methyl-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroazulene-4-carboxylate Methyl (1S,3S,7R,8aS)-3-hydroxy-7-isopropenyl-1-methyl-1,2,3,5,6,7,8,8a-octahydroazulene-4-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H24O3 |
| InChI | InChI=1S/C16H24O3/c1-9(2)11-5-6-12(16(18)19-4)15-13(8-11)10(3)7-14(15)17/h10-11,13-14,17H,1,5-8H2,2-4H3/t10-,11+,13-,14-/m0/s1 |
| InChIKey | YMBGAHCCHHAQRA-XCCSTKFXSA-N |
| Molecular Weight | 264.365 g/mol |
| SMILES | O[C@@]1(C=2[C@@](C[C@](C(=C)C)(CCC2C(=O)OC)[H])([C@](C)([H])C1)[H])[H] |
| SPLASH | splash10-0w3a-1970000000-775a3ce26e3460af0b0b |
| Source of Spectrum | F-48-10271-18 |
| Wiley ID | 1268317 |