| SpectraBase Spectrum ID |
9pAaeSc6nHo |
| Name |
2-[3',5'-di(T-Butyl)-4'-hydroxyphenyl)-3-(N-methylpiperazin-1''-yl)-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.272593024 u |
| Formula |
C29H36N2O3 |
| InChI |
InChI=1S/C29H36N2O3/c1-28(2,3)21-16-18(17-22(27(21)34)29(4,5)6)23-24(31-14-12-30(7)13-15-31)26(33)20-11-9-8-10-19(20)25(23)32/h8-11,16-17,34H,12-15H2,1-7H3 |
| InChIKey |
DJDQSSSVDBCOCD-UHFFFAOYSA-N |
| Molecular Weight |
460.618 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C=CC=C2)N1CCN(CC1)C)C1=CC(C(C)(C)C)=C(C(=C1)C(C)(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838333 |
