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s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)-
SpectraBase Compound ID LyQ13oTpiIX
InChI InChI=1S/C21H28O2/c1-12(2)7-8-13-18-14(20(3,4)10-16(18)22)9-15-19(13)17(23)11-21(15,5)6/h9,12H,7-8,10-11H2,1-6H3
InChIKey RWIXDHZYQJXGFC-UHFFFAOYSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkWgFAX83Uo
Name s-Indacene-1,7-dione, 2,3,5,6-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)-
CAS Registry Number 40650-59-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-12(2)7-8-13-18-14(20(3,4)10-16(18)22)9-15-19(13)17(23)11-21(15,5)6/h9,12H,7-8,10-11H2,1-6H3
InChIKey RWIXDHZYQJXGFC-UHFFFAOYSA-N
Molecular Weight 312.453 g/mol
SMILES CC(C)CCc1c2c(cc3c1C(CC3(C)C)=O)C(C)(C)CC2=O
SPLASH splash10-0aou-2390000000-94939f8fdcb714c512d3
Source of Spectrum EP-2955-0-0
Synonyms 8-Isopentyl-3,3,5,5-tetramethyl-2,3,5,6-tetrahydro-S-indacene-1,7-dione 3,3,5,5-tetramethyl-8-(3-methylbutyl)-2,6-dihydro-s-indacene-1,7-dione 8-isoamyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene-1,7-quinone 8-isopentyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene-1,7-dione
Wiley ID 1313873