Nitrothal-isopropyl

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Systematic / IUPAC Name: Dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate

ID: Reference13320

Other Names: 1,3-Benzenedicarboxylic acid, 5-nitro-, bis(1-methylethyl) ester;
Bis(1-methylethyl) 5-nitro-1,3-benzenedicarboxylate;
Diisopropyl 5-nitroisophthalate;
Isophthalic acid, 5-nitro-, diisopropyl ester;
Nitrothale-isopropyl ; more

Formula: C14H17NO6

Class: Pesticides/Herbicides

Spectral Data

Nitrothal-isopropyl mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 1731
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/10/2025 1:43:30 PM
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Identificators

InChI InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3
InChI Key VJAWBEFMCIINFU-UHFFFAOYSA-N
Canonical SMILES CC(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C
CAS
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Other Names 1,3-Benzenedicarboxylic acid, 5-nitro-, bis(1-methylethyl) ester;
Bis(1-methylethyl) 5-nitro-1,3-benzenedicarboxylate;
Diisopropyl 5-nitroisophthalate;
Isophthalic acid, 5-nitro-, diisopropyl ester;
Nitrothale-isopropyl;
Nitrothol isopropyl;
AA-1548

In Other Databases

ChemSpider 39827
ChEBI CHEBI:82026
PubChem 43704
ChEMBL CHEMBL1892508
KEGG C18873