| SpectraBase Spectrum ID |
IAyUFrqCG2N |
| Name |
Anthiaergosta-5,7,9,14-tetraene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.328651352 u |
| Formula |
C28H42 |
| InChI |
InChI=1S/C28H42/c1-18(2)19(3)11-12-20(4)26-13-14-27-25-17-22-9-7-8-10-23(22)21(5)24(25)15-16-28(26,27)6/h14,17-20,26H,7-13,15-16H2,1-6H3/t19-,20+,26+,28+/m0/s1 |
| InChIKey |
MBYWDPHBDDSMIP-SIGMVGOOSA-N |
| Molecular Weight |
378.644 g/mol |
| SMILES |
C1(=C2C(=CC3=C1CC[C@]1(C3=CC[C@@]1([C@@](CC[C@@](C(C)C)(C)[H])(C)[H])[H])C)CCCC2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862146 |
