2-Chloro-3-(octylamino)-1,4-dihydronaphthalene-1,4-dione

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Systematic / IUPAC Name: 2-Chloro-3-(octylamino)-1,4-naphthoquinone

ID: Reference4058

Other Names: 1,4-Naphthalenedione, 2-chloro-3-(octylamino)-

Formula: C18H22ClNO2

Spectral Data

2-Chloro-3-(octylamino)-1,4-dihydronaphthalene-1,4-dione 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/3/2016 1:54:45 PM
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Identificators

InChI InChI=1S/C18H22ClNO2/c1-2-3-4-5-6-9-12-20-16-15(19)17(21)13-10-7-8-11-14(13)18(16)22/h7-8,10-11,20H,2-6,9,12H2,1H3
InChI Key QEFIUSZAQVMYNY-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl
CAS
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Other Names 1,4-Naphthalenedione, 2-chloro-3-(octylamino)-

In Other Databases

PubChem 260188
ChemSpider 228366