5-Chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-2,6,7,8-tetrahydro-7-isoquinolinyl acetate

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Systematic / IUPAC Name: 5-Chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-2,6,7,8-tetrahydro-7-isoquinolinyl acetate

ID: Reference7700

Other Names: 6,8(2H,7H)-Isoquinolinedione, 7-(acetyloxy)-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-;
Sclerotioramine

Formula: C21H24ClNO4

Spectral Data

5-Chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-2,6,7,8-tetrahydro-7-isoquinolinyl acetate 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 Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/5/2018 5:43:41 AM
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Identificators

InChI InChI=1S/C21H24ClNO4/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-23-15)19(25)21(5,27-14(4)24)20(26)18(16)22/h7-12,23H,6H2,1-5H3/b8-7+,13-9+
InChI Key DOUKEKLEUAGITQ-NJHPPEEMSA-N
Canonical SMILES CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(=O)C2=CN1)(C)OC(=O)C)Cl
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Other Names 6,8(2H,7H)-Isoquinolinedione, 7-(acetyloxy)-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-;
Sclerotioramine

In Other Databases

PubChem 12315417
ChemSpider 29814299