| SpectraBase Compound ID | A1BnSTFrvF4 |
|---|---|
| InChI | InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h9,19-21,23-24,31H,1,8,10-17H2,2-7H3,(H,32,33)/t19-,20?,21?,23+,24?,27-,28+,29+,30-/m0/s1 |
| InChIKey | NNZUKIFQEFXNOK-AQXQESFHSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C30H46O3 |
| Exact Mass | 454.344695 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8j1Oi7BJQiX |
|---|---|
| Name | Dehydroimpressic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.344695338 u |
| Formula | C30H46O3 |
| InChI | InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h9,19-21,23-24,31H,1,8,10-17H2,2-7H3,(H,32,33)/t19-,20?,21?,23+,24?,27-,28+,29+,30-/m0/s1 |
| InChIKey | NNZUKIFQEFXNOK-AQXQESFHSA-N |
| Molecular Weight | 454.695 g/mol |
| SMILES | C(=O)([C@]12C(C3[C@]([C@]4(C([C@@]5(C(C(C)(C)[C@@](CC5)(O)[H])CC4)C)=CC3)C)(CC1)C)[C@@](CC2)(C(=C)C)[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901734 |