| SpectraBase Compound ID | 39unCLpMeGX |
|---|---|
| InChI | InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24+,25-,26+,28-,29-,30-,31+/m1/s1 |
| InChIKey | MRNPHCMRIQYRFU-KXUMSINMSA-N |
| Mol Weight | 440.8 g/mol |
| Molecular Formula | C31H52O |
| Exact Mass | 440.401816 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GMKMDdZmo9Y |
|---|---|
| Name | Arundoin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.401816293 u |
| Formula | C31H52O |
| InChI | InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24+,25-,26+,28-,29-,30-,31+/m1/s1 |
| InChIKey | MRNPHCMRIQYRFU-KXUMSINMSA-N |
| Molecular Weight | 440.756 g/mol |
| SMILES | [C@]1(OC)(C([C@]2([C@@](C=3[C@@]([C@@]4([C@@](CC3)([C@]3([C@]([C@@](C(C)C)(CC3)[H])(C)CC4)[H])C)C)(CC2)[H])(CC1)C)[H])(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858022 |