SpectraBase Compound ID | LVx8vBIdXq7 |
---|---|
InChI | InChI=1S/C15H24O3/c1-13(2)6-5-7-14(3)9(8-16)15(4)12(18-15)10(17)11(13)14/h9,11-12,16H,5-8H2,1-4H3/t9-,11?,12+,14-,15-/m1/s1 |
InChIKey | AHPUPUJYVYUVKA-LMCMSHIWSA-N |
Mol Weight | 252.35 g/mol |
Molecular Formula | C15H24O3 |
Exact Mass | 252.172545 g/mol |
SpectraBase Spectrum ID | B9Pa0zHWmi2 |
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Name | Uvidin A |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 252.172544630 u |
Formula | C15H24O3 |
InChI | InChI=1S/C15H24O3/c1-13(2)6-5-7-14(3)9(8-16)15(4)12(18-15)10(17)11(13)14/h9,11-12,16H,5-8H2,1-4H3/t9-,11?,12+,14-,15-/m1/s1 |
InChIKey | AHPUPUJYVYUVKA-LMCMSHIWSA-N |
Molecular Weight | 252.354 g/mol |
SMILES | [C@]12([C@](C(=O)C3[C@@]([C@]2(CO)[H])(CCCC3(C)C)C)(O1)[H])C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876636 |