| SpectraBase Compound ID | Fa1ZXr2DaBU |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-9-5-8-13(11(3)16(17)19-4)14-12(9)7-6-10(2)15(14)20-18/h6,9,11-15,18H,5,7-8H2,1-4H3/t9-,11-,12+,13+,14+,15-/m1/s1 |
| InChIKey | GEKZXJUVMDPLHD-NYCACENBSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5BZ1tbfYI7M |
|---|---|
| Name | 5-.alpha.Hydroperoxy-amorph-3-en-12-oic acid methyl ester |
| Alternate Name(s) | (2R)-2-[(1R,4R,4aS,8S,8aS)-8-hydroperoxy-4,7-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]propanoic acid methyl ester Methyl (2R)-2-[(1R,4R,4aS,8S,8aS)-8-hydroperoxy-4,7-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]propanoate Methyl (2R)-2-[(1R,4R,4aS,8S,8aS)-8-(dioxidanyl)-4,7-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]propanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-9-5-8-13(11(3)16(17)19-4)14-12(9)7-6-10(2)15(14)20-18/h6,9,11-15,18H,5,7-8H2,1-4H3/t9-,11-,12+,13+,14+,15-/m1/s1 |
| InChIKey | GEKZXJUVMDPLHD-NYCACENBSA-N |
| Molecular Weight | 282.380 g/mol |
| SMILES | OO[C@]1([C@@]2([C@]([C@](C(=O)OC)(C)[H])(CC[C@]([C@@]2(CC=C1C)[H])(C)[H])[H])[H])[H] |
| SPLASH | splash10-03di-0960000000-b9c1dd08a7aed08bc561 |
| Source of Spectrum | F-55-15136-12 |
| Wiley ID | 840339 |