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1,4-Naphthalenedione, 4a,5,8,8a-tetrahydro-2-(3-nitrophenyl)-
SpectraBase Compound ID 2SFr6SjJY3M
InChI InChI=1S/C16H13NO4/c18-15-9-14(10-4-3-5-11(8-10)17(20)21)16(19)13-7-2-1-6-12(13)15/h1-5,8-9,12-13H,6-7H2
InChIKey JTOIMUPWALRLFE-UHFFFAOYSA-N
Mol Weight 283.28 g/mol
Molecular Formula C16H13NO4
Exact Mass 283.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2V1wZYnFhY
Name 1,4-Naphthalenedione, 4a,5,8,8a-tetrahydro-2-(3-nitrophenyl)-
Alternate Name(s) 2-(3-nitrophenyl)-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO4
InChI InChI=1S/C16H13NO4/c18-15-9-14(10-4-3-5-11(8-10)17(20)21)16(19)13-7-2-1-6-12(13)15/h1-5,8-9,12-13H,6-7H2
InChIKey JTOIMUPWALRLFE-UHFFFAOYSA-N
Molecular Weight 283.283 g/mol
SMILES C1(=O)C=C(C(=O)C2CC=CCC12)c1cccc(c1)[N+]([O-])=O
SPLASH splash10-0fb9-9830000000-aff1c0d1e81fefae38b5
Source of Spectrum JX-2015-2-1036
Wiley ID 1722713