| SpectraBase Spectrum ID |
7bbnllNEVOu |
| Name |
3-Methoxy-17-phenyl-1,3,5(10),14(15),16(17)-estrapentaene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.198365456 u |
| Formula |
C25H26O |
| InChI |
InChI=1S/C25H26O/c1-25-15-14-21-20-11-9-19(26-2)16-18(20)8-10-22(21)24(25)13-12-23(25)17-6-4-3-5-7-17/h3-7,9,11-13,16,21-22H,8,10,14-15H2,1-2H3/t21-,22-,25-/m1/s1 |
| InChIKey |
UBOWVMCXTQXJAI-TZBSWOFLSA-N |
| Molecular Weight |
342.482 g/mol |
| SMILES |
[C@@]12(C([C@@]3(CCC4=C([C@]3(CC2)[H])C=CC(OC)=C4)[H])=CC=C1C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830775 |
