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1,3-Cyclopentanedione, 2-(4-methoxy-2-pentenyl)-2-methyl-
SpectraBase Compound ID 4St55Wv3ttj
InChI InChI=1S/C12H18O3/c1-9(15-3)5-4-8-12(2)10(13)6-7-11(12)14/h4-5,9H,6-8H2,1-3H3/b5-4+
InChIKey JDKBLPMBWYSHGN-SNAWJCMRSA-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 5zSzDYxKXDP
Name 1,3-Cyclopentanedione, 2-(4-methoxy-2-pentenyl)-2-methyl-
Alternate Name(s) 2-Methyl-2-(4-methoxy-2-pentenyl)cyclopentane-1,3-dione 2-[(2E)-4-methoxy-2-pentenyl]-2-methyl-1,3-cyclopentanedione
CAS Registry Number 113894-01-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-9(15-3)5-4-8-12(2)10(13)6-7-11(12)14/h4-5,9H,6-8H2,1-3H3/b5-4+
InChIKey JDKBLPMBWYSHGN-SNAWJCMRSA-N
Molecular Weight 210.273 g/mol
SMILES C1(C(CCC1=O)=O)(C\C=C\C(OC)C)C
SPLASH splash10-0002-9200000000-d3f987b26c6ccd82236f
Source of Spectrum J-53-2532-25
Wiley ID 1209253