| SpectraBase Spectrum ID |
BwXeUKCcbsF |
| Name |
Benzoic acid, 2,4,6-trimethyl-, 1-(1-methyl-4-nitro-1H-pyrrol-2-yl)ethyl ester |
| CAS Registry Number |
115975-67-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20N2O4 |
| InChI |
InChI=1S/C17H20N2O4/c1-10-6-11(2)16(12(3)7-10)17(20)23-13(4)15-8-14(19(21)22)9-18(15)5/h6-9,13H,1-5H3 |
| InChIKey |
LDLJRXRUHYPTBL-UHFFFAOYSA-N |
| Molecular Weight |
316.357 g/mol |
| SMILES |
c1(cc(C(OC(c2c(cc(cc2C)C)C)=O)C)[n](c1)C)N(=O)=O |
| SPLASH |
splash10-0w29-3900000000-38d58e0b89b534f7bf55 |
| Source of Spectrum |
B-40-2078-4 |
| Synonyms |
1-(1'-Methyl-4'-nitro-1'h-pyrrol-2'-yl)ethyl mesitoate
1-(1-Methyl-4-nitro-1H-pyrrol-2-yl)ethyl 2,4,6-trimethylbenzoate |
| Wiley ID |
1316706 |
