| SpectraBase Spectrum ID |
ICZ8TpRFmyw |
| Name |
exo-10-(p-Methoxyphenyl)benzo[C]-3-thiatetracyclo[10.2.1.0.0]hexadec-4-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.170436630 u |
| Formula |
C25H26OS |
| InChI |
InChI=1S/C25H26OS/c1-26-19-11-8-16(9-12-19)22-21-13-10-15-4-2-3-5-20(15)25(21)27-24-18-7-6-17(14-18)23(22)24/h2-5,8-9,11-12,17-18,22-24H,6-7,10,13-14H2,1H3 |
| InChIKey |
OMCPXSORGCWQJS-UHFFFAOYSA-N |
| Molecular Weight |
374.542 g/mol |
| SMILES |
C12=C(C(C=3C=CC(=CC3)OC)C3C(S1)C1CC3CC1)CCC1=C2C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924314 |
![exo-10-(p-Methoxyphenyl)benzo[c]-3-thiatetracyclo[10.2.1.0.0]hexadec-4-ene](/api/spectrum/ICZ8TpRFmyw/structure.png?h=300&w=458 "exo-10-(p-Methoxyphenyl)benzo[c]-3-thiatetracyclo[10.2.1.0.0]hexadec-4-ene")
