| SpectraBase Compound ID | 5Jtwzs2FoHr |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h8-12,16,18H,4-7H2,1-3H3/t8?,9-,10?,11+,12-,14-,15-/m0/s1 |
| InChIKey | STGBIVATSFUHNU-AZXSBFJISA-N |
| Mol Weight | 268.35 g/mol |
| Molecular Formula | C15H24O4 |
| Exact Mass | 268.167459 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GP7vRYYtM5l |
|---|---|
| Name | Dihydro-arsubin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.167459249 u |
| Formula | C15H24O4 |
| InChI | InChI=1S/C15H24O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h8-12,16,18H,4-7H2,1-3H3/t8?,9-,10?,11+,12-,14-,15-/m0/s1 |
| InChIKey | STGBIVATSFUHNU-AZXSBFJISA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | [C@]12([C@]3(OC(=O)[C@](C3CC[C@]1([C@](O)(CCC2C)[H])C)(C)[H])[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907207 |