9-Nitrooleate

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Systematic / IUPAC Name: (9E)-9-Nitro-9-octadecenoic acid

ID: Reference6717

Other Names: (E)-9-Nitrooctadec-9-enoic acid;
(9E)-9-Nitrooctadec-9-enoic acid;
(9E)-9-Nitrooctadecenoic acid;
9-Nitro oleic acid;
9-Nitro-9E-octadecenoic acid

Formula: C18H33NO4

Spectral Data

9-Nitrooleate 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 Fusion with FAIMS ; Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 5
No. of Spectra 8954
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 8/14/2017 6:55:02 AM
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Identificators

InChI InChI=1S/C18H33NO4/c1-2-3-4-5-6-8-11-14-17(19(22)23)15-12-9-7-10-13-16-18(20)21/h14H,2-13,15-16H2,1H3,(H,20,21)/b17-14+
InChI Key CQOAKBVRRVHWKV-SAPNQHFASA-N
Canonical SMILES
CAS 875685442
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Other Names (E)-9-Nitrooctadec-9-enoic acid;
(9E)-9-Nitrooctadec-9-enoic acid;
(9E)-9-Nitrooctadecenoic acid;
9-Nitro oleic acid;
9-Nitro-9E-octadecenoic acid

In Other Databases

ChEBI CHEBI:86329
ChEMBL CHEMBL550762
PubChem 11645581
ChemSpider 9820320