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2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-nitro-isoindole-1,3-dione
SpectraBase Compound ID JjJsrjQsCFN
InChI InChI=1S/C18H15N3O4/c22-17-15-6-5-14(21(24)25)9-16(15)18(23)20(17)11-19-8-7-12-3-1-2-4-13(12)10-19/h1-6,9H,7-8,10-11H2
InChIKey PHMYDRNVQGNVPG-UHFFFAOYSA-N
Mol Weight 337.34 g/mol
Molecular Formula C18H15N3O4
Exact Mass 337.106256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3X18oFYRxg
Name 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-nitro-isoindole-1,3-dione
Alternate Name(s) 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-nitro-isoindoline-1,3-dione 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-nitro-isoindoline-1,3-quinone
CAS Registry Number 96919-07-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N3O4
InChI InChI=1S/C18H15N3O4/c22-17-15-6-5-14(21(24)25)9-16(15)18(23)20(17)11-19-8-7-12-3-1-2-4-13(12)10-19/h1-6,9H,7-8,10-11H2
InChIKey PHMYDRNVQGNVPG-UHFFFAOYSA-N
Molecular Weight 337.335 g/mol
SMILES C1(N(C(c2ccc(cc12)N(=O)=O)=O)CN1Cc2ccccc2CC1)=O
SPLASH splash10-000t-0900000000-8e7a2352050b612ad59f
Source of Spectrum W5-1989-38219-27317
Wiley ID 1333057