| SpectraBase Spectrum ID |
974piNkvAjK |
| Name |
1-(4-[2,2-bis(3-Methyl-4-propionylbenzyl)-3-(3-methyl-4-propionylphenyl)propyl]-2-methylphenyl)propan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
656.386560150 u |
| Formula |
C45H52O4 |
| InChI |
InChI=1S/C45H52O4/c1-9-41(46)37-17-13-33(21-29(37)5)25-45(26-34-14-18-38(30(6)22-34)42(47)10-2,27-35-15-19-39(31(7)23-35)43(48)11-3)28-36-16-20-40(32(8)24-36)44(49)12-4/h13-24H,9-12,25-28H2,1-8H3 |
| InChIKey |
NLEIFGUDVUECNP-UHFFFAOYSA-N |
| SMILES |
CC1=CC(CC(CC=2C=C(C)C(=CC2)C(=O)CC)(CC=2C=CC(C(CC)=O)=C(C)C2)CC=2C=CC(=C(C2)C)C(CC)=O)=CC=C1C(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94876 |
![1-(4-[2,2-bis(3-Methyl-4-propionylbenzyl)-3-(3-methyl-4-propionylphenyl)propyl]-2-methylphenyl)propan-1-one](/api/spectrum/974piNkvAjK/structure.png?h=300&w=458 "1-(4-[2,2-bis(3-Methyl-4-propionylbenzyl)-3-(3-methyl-4-propionylphenyl)propyl]-2-methylphenyl)propan-1-one")
