| SpectraBase Compound ID | JIc2vkdw13h |
|---|---|
| InChI | InChI=1S/C15H18O4/c1-8-7-18-15(3)12(8)5-10-4-11(9(2)16)13(17)6-14(10)19-15/h4,6,8,12,17H,5,7H2,1-3H3/t8-,12+,15+/m1/s1 |
| InChIKey | BFLZUNPIROUVLO-XHYYPMHDSA-N |
| Mol Weight | 262.3 g/mol |
| Molecular Formula | C15H18O4 |
| Exact Mass | 262.120509 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KFyNK8ient4 |
|---|---|
| Name | iso-Xyloketal D |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H18O4 |
| InChI | InChI=1S/C15H18O4/c1-8-7-18-15(3)12(8)5-10-4-11(9(2)16)13(17)6-14(10)19-15/h4,6,8,12,17H,5,7H2,1-3H3/t8-,12+,15+/m1/s1 |
| InChIKey | BFLZUNPIROUVLO-XHYYPMHDSA-N |
| Molecular Weight | 262.305 g/mol |
| SMILES | Oc1cc2O[C@]3([C@@](Cc2cc1C(=O)C)([C@](C)(CO3)[H])[H])C |
| SPLASH | splash10-014j-9740000000-c6bf2ebe8e1813bd8d5c |
| Source of Spectrum | K1-2004-1269-24 |
| Wiley ID | 1560561 |