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4,5-bis(Methoxymethyl)-1,6-dimethyl-9-(1'-methylethyl)heptalene
SpectraBase Compound ID 7KUKI6ocPX
InChI InChI=1S/C21H28O2/c1-14(2)17-9-8-16(4)21-19(11-17)15(3)7-10-18(12-22-5)20(21)13-23-6/h7-11,14H,12-13H2,1-6H3
InChIKey QRQJMQRKGLZWHM-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 2LyX9s6Uw85
Name 4,5-bis(Methoxymethyl)-1,6-dimethyl-9-(1'-methylethyl)heptalene
Alternate Name(s) 4,5-bis(Methoxycarbonyl)-1,6-dimethyl-9-(1'-methylethyl)heptalene 7-isopropyl-1,2-bis(methoxymethyl)-5,10-dimethylheptalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-14(2)17-9-8-16(4)21-19(11-17)15(3)7-10-18(12-22-5)20(21)13-23-6/h7-11,14H,12-13H2,1-6H3
InChIKey QRQJMQRKGLZWHM-UHFFFAOYSA-N
Molecular Weight 312.453 g/mol
SMILES C1=2C(C(=C(COC)C=CC2C)COC)=C(C=CC(=C1)C(C)C)C
SPLASH splash10-01ot-0938000000-83dd1a32b99dfe9b2a89
Source of Spectrum H-85-1182-21
Wiley ID 1524309