| SpectraBase Compound ID | 8m5EwSFioaP |
|---|---|
| InChI | InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-30(8)24-19(9-12-29(30,7)22(27)18-25)28(6)11-10-23(32)26(3,4)21(28)17-20(24)31/h21-23,32H,9-18H2,1-8H3/t21-,22+,23-,27+,28+,29-,30+/m0/s1 |
| InChIKey | FUEOKCWSAZKORQ-JEJCRBPWSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C30H48O2 |
| Exact Mass | 440.365431 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Czai28yvNMC |
|---|---|
| Name | 7-Oxoisomultiflorenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.365430784 u |
| Formula | C30H48O2 |
| InChI | InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-30(8)24-19(9-12-29(30,7)22(27)18-25)28(6)11-10-23(32)26(3,4)21(28)17-20(24)31/h21-23,32H,9-18H2,1-8H3/t21-,22+,23-,27+,28+,29-,30+/m0/s1 |
| InChIKey | FUEOKCWSAZKORQ-JEJCRBPWSA-N |
| Molecular Weight | 440.712 g/mol |
| SMILES | [C@@]12(C3=C([C@]4(CC[C@@](C([C@@]4(CC3=O)[H])(C)C)(O)[H])C)CC[C@]2([C@@]2(CC(C)(C)CC[C@@]2(CC1)C)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909419 |