| SpectraBase Compound ID | E01tc2QKoLp |
|---|---|
| InChI | InChI=1S/C32H48O5/c1-19(33)37-24-10-11-29(6)23(28(24,4)5)9-12-31(8)25(29)22(34)17-20-21-18-27(2,3)13-15-32(21,26(35)36)16-14-30(20,31)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23?,24-,25?,29-,30+,31+,32-/m0/s1 |
| InChIKey | UYMVUDWLGIYLKY-IHRZCVOISA-N |
| Mol Weight | 512.7 g/mol |
| Molecular Formula | C32H48O5 |
| Exact Mass | 512.350175 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G32uIvSXmme |
|---|---|
| Name | Lantanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 512.350174641 u |
| Formula | C32H48O5 |
| InChI | InChI=1S/C32H48O5/c1-19(33)37-24-10-11-29(6)23(28(24,4)5)9-12-31(8)25(29)22(34)17-20-21-18-27(2,3)13-15-32(21,26(35)36)16-14-30(20,31)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23?,24-,25?,29-,30+,31+,32-/m0/s1 |
| InChIKey | UYMVUDWLGIYLKY-IHRZCVOISA-N |
| Molecular Weight | 512.731 g/mol |
| SMILES | C1(=O)C2[C@](CCC3C([C@](CC[C@]23C)(OC(=O)C)[H])(C)C)(C)[C@]2(C(=C1)[C@]1([C@](CC2)(C(=O)O)CCC(C1)(C)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91274 |