SpectraBase Spectrum ID |
KDdjJPefJX1 |
Name |
Benzoic acid, 2-[2-[(3-methyl-2-butenyl)oxy]benzoyl]-6-nitro- |
CAS Registry Number |
96597-86-3 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C19H17NO6 |
InChI |
InChI=1S/C19H17NO6/c1-12(2)10-11-26-16-9-4-3-6-13(16)18(21)14-7-5-8-15(20(24)25)17(14)19(22)23/h3-10H,11H2,1-2H3,(H,22,23) |
InChIKey |
HNVUBHGHGXOIKQ-UHFFFAOYSA-N |
Molecular Weight |
355.346 g/mol |
SMILES |
OC(c1c(C(c2c(OCC=C(C)C)cccc2)=O)cccc1N(=O)=O)=O |
SPLASH |
splash10-03y0-0960000000-da868833eef898800a8b |
Source of Spectrum |
K-118-1068-20 |
Synonyms |
2-{2-[(3-methyl-2-butenyl)oxy]benzoyl}-6-nitrobenzoic acid
6-[2-(3-methyl-2-butenyloxy)benzoyl]-2-nitrobenzoesaure |
Wiley ID |
1345221 |