SpectraBase Spectrum ID |
LVVUfDETrGR |
Name |
Dimethyl [2,2]paradihydronaphthalenocyclophane-19,20-dicarboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
376.167459249 u |
Formula |
C24H24O4 |
InChI |
InChI=1S/C24H24O4/c1-27-23(25)20-14-13-19-17-9-7-15-3-5-16(6-4-15)8-10-18(12-11-17)21(19)22(20)24(26)28-2/h3-6,11-12H,7-10,13-14H2,1-2H3 |
InChIKey |
UZCWCHQXIPOLPT-UHFFFAOYSA-N |
Molecular Weight |
376.452 g/mol |
SMILES |
C=1(C2=C(C=3CCC=4C=CC(CCC2=CC3)=CC4)CCC1C(=O)OC)C(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851299 |