![5-Azulenecarboxaldehyde, 1,2,3,3a,6,7,8,8a-octahydro-8a-methyl-3-(1-methylethyl)-8-oxo-, [3S-(3.alpha.,3a.alpha.,8a.alpha.)]-](/api/spectrum/B3Lyt2pVdqK/structure.png?h=300&w=458 "5-Azulenecarboxaldehyde, 1,2,3,3a,6,7,8,8a-octahydro-8a-methyl-3-(1-methylethyl)-8-oxo-, [3S-(3.alpha.,3a.alpha.,8a.alpha.)]-")
| SpectraBase Compound ID | CzHecg8Wpik |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-10(2)12-6-7-15(3)13(12)8-11(9-16)4-5-14(15)17/h8-10,12-13H,4-7H2,1-3H3/t12-,13-,15+/m0/s1 |
| InChIKey | VYPYFZUEGQREKP-KCQAQPDRSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B3Lyt2pVdqK |
|---|---|
| Name | 5-Azulenecarboxaldehyde, 1,2,3,3a,6,7,8,8a-octahydro-8a-methyl-3-(1-methylethyl)-8-oxo-, [3S-(3.alpha.,3a.alpha.,8a.alpha.)]- |
| Alternate Name(s) | (-)-2-Oxoisodauc-5-en-12-al (3S,3aR,8aR)-3-isopropyl-8a-methyl-8-oxo-1,2,3,3a,6,7,8,8a-octahydro-5-azulenecarbaldehyde 10-oxo-isodauc-3-en-15-al (3S,3aR,8aR)-8a-methyl-8-oxo-3-propan-2-yl-1,2,3,3a,6,7-hexahydroazulene-5-carboxaldehyde (3S,3aR,8aR)-8a-methyl-8-oxo-3-propan-2-yl-1,2,3,3a,6,7-hexahydroazulene-5-carbaldehyde (3S,3aR,8aR)-3-isopropyl-8a-methyl-8-oxo-1,2,3,3a,6,7-hexahydroazulene-5-carbaldehyde (3S,3aR,8aR)-8a-methyl-8-oxidanylidene-3-propan-2-yl-1,2,3,3a,6,7-hexahydroazulene-5-carbaldehyde |
| CAS Registry Number | 100324-71-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-10(2)12-6-7-15(3)13(12)8-11(9-16)4-5-14(15)17/h8-10,12-13H,4-7H2,1-3H3/t12-,13-,15+/m0/s1 |
| InChIKey | VYPYFZUEGQREKP-KCQAQPDRSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | [C@]12([C@](C(=O)CCC(=C2)C=O)(CC[C@]1(C(C)C)[H])C)[H] |
| SPLASH | splash10-0006-7910000000-e701f98a26100dbad53c |
| Source of Spectrum | J-57-5376-6 |
| Wiley ID | 1236390 |