| SpectraBase Compound ID | LdKVA8oLoGJ |
|---|---|
| InChI | InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,27+,28-,29-,30+/m1/s1 |
| InChIKey | UMYJVVZWBKIXQQ-QALSDZMNSA-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 | 1rlyD8TCIqR |
|---|---|
| Name | Moronic-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/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,27+,28-,29-,30+/m1/s1 |
| InChIKey | UMYJVVZWBKIXQQ-QALSDZMNSA-N |
| Molecular Weight | 454.695 g/mol |
| SMILES | C1(=O)CC[C@]2([C@](C1(C)C)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]1(C2=CC(CC1)(C)C)C(=O)O)C)[H])[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932992 |