3-(5-Isopropyl-3,8-dimethylazulen-1-yl)-2-(methylsulfonyl)acrylonitrile

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Systematic / IUPAC Name: (2E)-3-(5-Isopropyl-3,8-dimethyl-1-azulenyl)-2-(methylsulfonyl)acrylonitrile

ID: Reference4129

Other Names: 2-Propenenitrile, 3-[3,8-dimethyl-5-(1-methylethyl)-1-azulenyl]-2-(methylsulfonyl)-, (2E)-

Formula: C19H21NO2S

Spectral Data

3-(5-Isopropyl-3,8-dimethylazulen-1-yl)-2-(methylsulfonyl)acrylonitrile 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 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/10/2016 6:38:37 AM
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Identificators

InChI InChI=1S/C19H21NO2S/c1-12(2)15-7-6-13(3)19-16(8-14(4)18(19)10-15)9-17(11-20)23(5,21)22/h6-10,12H,1-5H3/b17-9+
InChI Key AANYXOAZGLBFRK-RQZCQDPDSA-N
Canonical SMILES CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C=C(C#N)S(=O)(=O)C
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Other Names 2-Propenenitrile, 3-[3,8-dimethyl-5-(1-methylethyl)-1-azulenyl]-2-(methylsulfonyl)-, (2E)-

In Other Databases

PubChem 5937455
ChemSpider 4756317