| SpectraBase Compound ID | E8UdWANhxLi |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-13-6-9-20-15(12-24-18(20)22)4-3-5-16(20)19(13,2)8-7-14-10-17(21)23-11-14/h4,10,13,16,18,22H,3,5-9,11-12H2,1-2H3/t13-,16-,18-,19+,20+/m0/s1 |
| InChIKey | NFAVXFOQTAQQBH-KSYRLKCISA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1g6YiVcl91u |
|---|---|
| Name | Amphiacrolide-C |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.198759378 u |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-13-6-9-20-15(12-24-18(20)22)4-3-5-16(20)19(13,2)8-7-14-10-17(21)23-11-14/h4,10,13,16,18,22H,3,5-9,11-12H2,1-2H3/t13-,16-,18-,19+,20+/m0/s1 |
| InChIKey | NFAVXFOQTAQQBH-KSYRLKCISA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | [C@]1(O)([C@@]23C(=CCC[C@]3([C@]([C@](CC2)(C)[H])(C)CCC2=CC(=O)OC2)[H])CO1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862111 |