| SpectraBase Spectrum ID |
LxBFNqVoee5 |
| Name |
4-[(R)-(-)-2-chloro-3-methylbutyryloxy]phenyl 4-(decyloxy)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.232951986 u |
| Formula |
C28H37ClO5 |
| InChI |
InChI=1S/C28H37ClO5/c1-4-5-6-7-8-9-10-11-20-32-23-14-12-22(13-15-23)27(30)33-24-16-18-25(19-17-24)34-28(31)26(29)21(2)3/h12-19,21,26H,4-11,20H2,1-3H3/t26-/m1/s1 |
| InChIKey |
NNWWBJUPKARUHB-AREMUKBSSA-N |
| Molecular Weight |
489.052 g/mol |
| SMILES |
C(OC=1C=CC(OC(C2=CC=C(C=C2)OCCCCCCCCCC)=O)=CC1)([C@](Cl)(C(C)C)[H])=O |
| Spectrum/Structure Validation Score (Raman) |
0.801155 |
![4-[(R)-(-)-2-chloro-3-methylbutyryloxy]phenyl 4-(decyloxy)benzoate](/api/spectrum/LxBFNqVoee5/structure.png?h=300&w=458 "4-[(R)-(-)-2-chloro-3-methylbutyryloxy]phenyl 4-(decyloxy)benzoate")
