| SpectraBase Compound ID | 2joE4d4ug3J |
|---|---|
| InChI | InChI=1S/C31H52O/c1-26(2)16-17-28(5)18-19-30(7)21(22(28)20-26)10-11-24-29(6)14-13-25(32-9)27(3,4)23(29)12-15-31(24,30)8/h10,22-25H,11-20H2,1-9H3/t22?,23?,24?,25-,28-,29+,30-,31-/m1/s1 |
| InChIKey | LUKYDMFJBKBKJG-JRUYCYJVSA-N |
| Mol Weight | 440.8 g/mol |
| Molecular Formula | C31H52O |
| Exact Mass | 440.401816 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IRumRd2Qlp3 |
|---|---|
| Name | (4ar,6as,6br,10R,12Ar)-10-methoxy-2,2,4A,6A,6B,9,9,12A-octamethyl-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-icosahydropicene |
| 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/c1-26(2)16-17-28(5)18-19-30(7)21(22(28)20-26)10-11-24-29(6)14-13-25(32-9)27(3,4)23(29)12-15-31(24,30)8/h10,22-25H,11-20H2,1-9H3/t22?,23?,24?,25-,28-,29+,30-,31-/m1/s1 |
| InChIKey | LUKYDMFJBKBKJG-JRUYCYJVSA-N |
| Molecular Weight | 440.756 g/mol |
| SMILES | C1[C@](C(C2[C@](C1)(C1[C@@](CC2)([C@]2(C(=CC1)C1[C@@](CC2)(CCC(C1)(C)C)C)C)C)C)(C)C)(OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.824172 |