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1,4-Naphthalenedione, 2-methyl-8-(3-methyl-1-azulenyl)-
SpectraBase Compound ID 9PcmSCFKyPc
InChI InChI=1S/C22H16O2/c1-13-11-19(16-8-5-3-4-7-15(13)16)17-9-6-10-18-20(23)12-14(2)22(24)21(17)18/h3-12H,1-2H3
InChIKey VGWHZIBPZZFJLY-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C22H16O2
Exact Mass 312.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18lzCQo9ssL
Name 1,4-Naphthalenedione, 2-methyl-8-(3-methyl-1-azulenyl)-
Alternate Name(s) 1-Methyl-3-(3-methyl-1,4-dioxo-5-naphthyl)azulene 2-Methyl-8-(3-methyl-1-azulenyl)naphthoquinone
CAS Registry Number 115349-87-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16O2
InChI InChI=1S/C22H16O2/c1-13-11-19(16-8-5-3-4-7-15(13)16)17-9-6-10-18-20(23)12-14(2)22(24)21(17)18/h3-12H,1-2H3
InChIKey VGWHZIBPZZFJLY-UHFFFAOYSA-N
Molecular Weight 312.368 g/mol
SMILES c1(c2c(ccccc2)c(c1)C)-c1c2C(C(C)=CC(c2ccc1)=O)=O
SPLASH splash10-03dj-0079000000-6d7b151bd609ac58a4bd
Source of Spectrum AJ-60-3728-1
Wiley ID 1313941