| SpectraBase Spectrum ID |
Jc6zjcx80rr |
| Name |
12-[(2-hydroxy-3,5-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 |
C31H31N3O7 |
| InChI |
InChI=1S/C31H31N3O7/c1-18-13-19(2)29(37)20(14-18)15-34-11-9-32-25(35)16-40-23-7-3-5-21-27(23)31(39)28-22(30(21)38)6-4-8-24(28)41-17-26(36)33-10-12-34/h3-8,13-14,37H,9-12,15-17H2,1-2H3,(H,32,35)(H,33,36) |
| InChIKey |
QMUQNIXQLCSBRV-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP 1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.1811 |
| Molecular Weight |
557.603 g/mol |
| SMILES |
N1C(COc2cccc3c2C(c2c(cccc2OCC(=O)NCCN(Cc2c(c(cc(c2)C)C)O)CC1)C3=O)=O)=O |
| SPLASH |
splash10-0uxr-4193100000-5c661676b3c589bac75b |
| Source of Spectrum |
Y-53-172-172-5 |
| Wiley ID |
1877527 |
![12-[(2-hydroxy-3,5-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/Jc6zjcx80rr/structure.png?h=300&w=458 "12-[(2-hydroxy-3,5-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")
