| SpectraBase Spectrum ID |
6Mi4ncubzoX |
| Name |
Benzoic acid, 3,4-dihydroxy-5-nitro-, butyl ester |
| Alternate Name(s) |
3,4-Dihydroxy-5-nitro-benzoic acid butyl ester
Butyl 3,4-dihydroxy-5-nitro-benzoate
Butyl 3-nitro-4,5-bis(oxidanyl)benzoate
3,4-Dihydroxy-5-nitrobenzoic acid butyl ester |
| CAS Registry Number |
125629-02-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H13NO6 |
| InChI |
InChI=1S/C11H13NO6/c1-2-3-4-18-11(15)7-5-8(12(16)17)10(14)9(13)6-7/h5-6,13-14H,2-4H2,1H3 |
| InChIKey |
CQCMPUPIHNURLC-UHFFFAOYSA-N |
| Molecular Weight |
255.226 g/mol |
| SMILES |
Oc1cc(cc(c1O)N(=O)=O)C(=O)OCCCC |
| SPLASH |
splash10-052b-7950000000-138609e78e4a69755ddb |
| Source of Spectrum |
H-72-965-16 |
| Wiley ID |
1258633 |
