| SpectraBase Compound ID | AkelvP6eDpX |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-9-5-6-12(11(3)16(17)19-4)14-7-10(2)15(20-18)8-13(9)14/h7,9,11-15,18H,5-6,8H2,1-4H3/t9-,11-,12+,13+,14-,15-/m1/s1 |
| InChIKey | QDMHACGMDJWRGL-MVVLZTAMSA-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 | 2Uld53ahM4L |
|---|---|
| Name | 3-.alpha.-Hydroperoxy-amorph-4-en-12-oic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-9-5-6-12(11(3)16(17)19-4)14-7-10(2)15(20-18)8-13(9)14/h7,9,11-15,18H,5-6,8H2,1-4H3/t9-,11-,12+,13+,14-,15-/m1/s1 |
| InChIKey | QDMHACGMDJWRGL-MVVLZTAMSA-N |
| Molecular Weight | 282.380 g/mol |
| SMILES | OO[C@@]1(C[C@@]2([C@](C=C1C)([C@]([C@](C(=O)OC)(C)[H])(CC[C@]2(C)[H])[H])[H])[H])[H] |
| SPLASH | splash10-004r-8910000000-1a78d2a1ccaaebb16c8d |
| Source of Spectrum | F-55-15138-26 |
| Synonyms | Methyl (2S)-2-[(1R,4R,4aS,6R,8aS)-6-hydroperoxy-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl]propanoate (2R)-2-[(1R,4R,4aS,6R,8aS)-6-hydroperoxy-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoic acid methyl ester Methyl (2R)-2-[(1R,4R,4aS,6R,8aS)-6-hydroperoxy-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoate Methyl (2R)-2-[(1R,4R,4aS,6R,8aS)-6-(dioxidanyl)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoate |
| Wiley ID | 840330 |