| SpectraBase Spectrum ID |
Cjtwf2wmdOH |
| Name |
2-Undecyl-2,3-dihydrobenzopyran-6-carboxylic acid 4'-(dodecyloxy)biphenyl-4-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
668.480460537 u |
| Formula |
C45H64O4 |
| InChI |
InChI=1S/C45H64O4/c1-3-5-7-9-11-13-15-17-19-21-35-47-41-29-23-37(24-30-41)38-25-31-43(32-26-38)49-45(46)40-28-34-44-39(36-40)27-33-42(48-44)22-20-18-16-14-12-10-8-6-4-2/h23-26,28-32,34,36,42H,3-22,27,33,35H2,1-2H3 |
| InChIKey |
LUPGNXLPIGJWMW-UHFFFAOYSA-N |
| SMILES |
C(C=1C=C2CCC(OC2=CC1)CCCCCCCCCCC)(OC1=CC=C(C=C1)C=1C=CC(=CC1)OCCCCCCCCCCCC)=O |
