| SpectraBase Spectrum ID |
BHgYu81A9uv |
| Name |
13-(Methoxycarbonyl)-14-hydroxy-17-benzyl[11]metacyclophane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.250794952 u |
| Formula |
C26H34O3 |
| InChI |
InChI=1S/C26H34O3/c1-29-26(28)25-22-17-13-8-6-4-2-3-5-7-12-16-21(19-24(25)27)23(22)18-20-14-10-9-11-15-20/h9-11,14-15,19,27H,2-8,12-13,16-18H2,1H3 |
| InChIKey |
XARCUCCDUVIFQC-UHFFFAOYSA-N |
| Molecular Weight |
394.555 g/mol |
| SMILES |
C=1(C2=C(CC3=CC=CC=C3)C(=CC1O)CCCCCCCCCCC2)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932087 |
![13-(Methoxycarbonyl)-14-hydroxy-17-benzyl[11]metacyclophane](/api/spectrum/BHgYu81A9uv/structure.png?h=300&w=458 "13-(Methoxycarbonyl)-14-hydroxy-17-benzyl[11]metacyclophane")
