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2-[(E)-3-ethoxy-1-methyl-allyl]-2-methyl-cyclopentane-1,3-dione
SpectraBase Compound ID IipqlOYm6kt
InChI InChI=1S/C12H18O3/c1-4-15-8-7-9(2)12(3)10(13)5-6-11(12)14/h7-9H,4-6H2,1-3H3/b8-7+
InChIKey XDGFTHMVQWIWJD-BQYQJAHWSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbkBz565S3a
Name 2-[(E)-3-ethoxy-1-methyl-allyl]-2-methyl-cyclopentane-1,3-dione
Alternate Name(s) 2-[(E)-3-ethoxy-1-methyl-allyl]-2-methyl-cyclopentane-1,3-quinone 2-[(E)-4-ethoxybut-3-en-2-yl]-2-methyl-cyclopentane-1,3-dione
CAS Registry Number 87711-08-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-4-15-8-7-9(2)12(3)10(13)5-6-11(12)14/h7-9H,4-6H2,1-3H3/b8-7+
InChIKey XDGFTHMVQWIWJD-BQYQJAHWSA-N
Molecular Weight 210.273 g/mol
SMILES C1(C(CCC1=O)=O)(C(\C=C\OCC)C)C
SPLASH splash10-00dj-9000000000-26f49cdf7844e808e2ef
Source of Spectrum J-49-149-0
Wiley ID 1209122