| SpectraBase Spectrum ID |
I1LBxNJ2QNi |
| Name |
2,5,8,11,14-Pentaoxa-tricyclo[13.8.0.0*17,22*]tricosa-1(15),16,18,20,22-pentaene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.146723803 u |
| Formula |
C18H22O5 |
| InChI |
InChI=1S/C18H22O5/c1-2-4-16-14-18-17(13-15(16)3-1)22-11-9-20-7-5-19-6-8-21-10-12-23-18/h1-4,13-14H,5-12H2 |
| InChIKey |
BDTDDXDRCOLVNJ-UHFFFAOYSA-N |
| Molecular Weight |
318.369 g/mol |
| SMILES |
C1=C2C(OCCOCCOCCOCCO2)=CC2=C1C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914042 |
![2,5,8,11,14-Pentaoxa-tricyclo[13.8.0.0*17,22*]tricosa-1(15),16,18,20,22-pentaene](/api/spectrum/I1LBxNJ2QNi/structure.png?h=300&w=458 "2,5,8,11,14-Pentaoxa-tricyclo[13.8.0.0*17,22*]tricosa-1(15),16,18,20,22-pentaene")
