| SpectraBase Compound ID | B4gGLq1sNlv |
|---|---|
| InChI | InChI=1S/C25H40O2/c1-18(10-8-11-20(3)23(26)27-7)12-14-21-19(2)13-15-22-24(4,5)16-9-17-25(21,22)6/h8,10-11,20,22H,9,12-17H2,1-7H3/b11-8+,18-10+/t20-,22+,25-/m1/s1 |
| InChIKey | KIYHLAKXAOIJFX-SNQDTNPLSA-N |
| Mol Weight | 372.6 g/mol |
| Molecular Formula | C25H40O2 |
| Exact Mass | 372.302831 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Fm38D8ma1uI |
|---|---|
| Name | Norsesterterpene dien ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.302830526 u |
| Formula | C25H40O2 |
| InChI | InChI=1S/C25H40O2/c1-18(10-8-11-20(3)23(26)27-7)12-14-21-19(2)13-15-22-24(4,5)16-9-17-25(21,22)6/h8,10-11,20,22H,9,12-17H2,1-7H3/b11-8+,18-10+/t20-,22+,25-/m1/s1 |
| InChIKey | KIYHLAKXAOIJFX-SNQDTNPLSA-N |
| Molecular Weight | 372.593 g/mol |
| SMILES | [C@@]12(C(=C(C)CC[C@]2(C(C)(C)CCC1)[H])CC\C(=C\C=C\[C@](C(=O)OC)(C)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96992 |