| SpectraBase Spectrum ID |
8DkL7n2QWVE |
| Name |
12-[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methyl]-6,18-dioxa-9,12,15-triazatetracyclo[21.3.1.0(5,26).0(19,24)]heptacosa-1(26),2,4,19,21,23-hexaene-8,16,25,27-tetrone |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H30ClN3O7 |
| InChI |
InChI=1S/C31H30ClN3O7/c1-17-13-22(36)21(18(2)29(17)32)14-35-11-9-33-25(37)15-41-23-7-3-5-19-27(23)31(40)28-20(30(19)39)6-4-8-24(28)42-16-26(38)34-10-12-35/h3-8,13,36H,9-12,14-16H2,1-2H3,(H,33,37)(H,34,38) |
| InChIKey |
FFVGHECMGRJHNR-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP 1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.1811 |
| Molecular Weight |
592.048 g/mol |
| SMILES |
N1C(COc2cccc3c2C(c2c(cccc2OCC(=O)NCCN(Cc2c(cc(c(c2C)Cl)C)O)CC1)C3=O)=O)=O |
| SPLASH |
splash10-1000-4594000000-5e19345d2914d75d7e0a |
| Source of Spectrum |
Y-53-173-173-2 |
| Thin-Layer Chromatography |
Rf = 0.44 (EtOH/EtOAc, 1:10) |
| Wiley ID |
1877533 |
![12-[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methyl]-6,18-dioxa-9,12,15-triazatetracyclo[21.3.1.0(5,26).0(19,24)]heptacosa-1(26),2,4,19,21,23-hexaene-8,16,25,27-tetrone](/api/spectrum/8DkL7n2QWVE/structure.png?h=300&w=458 "12-[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methyl]-6,18-dioxa-9,12,15-triazatetracyclo[21.3.1.0(5,26).0(19,24)]heptacosa-1(26),2,4,19,21,23-hexaene-8,16,25,27-tetrone")
