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Methyl 1-[2-(Hydroxymethyl)-3-methyl-1-oxocyclopent-5-yl]but-3-enoate
SpectraBase Compound ID 5u8S05dimeg
InChI InChI=1S/C13H18O4/c1-4-5-9(13(16)17-3)10-6-8(2)11(7-14)12(10)15/h4,9-10,14H,1,5-7H2,2-3H3
InChIKey RRQPSYZSHVWCRE-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fa7XHhO06Q
Name Methyl 1-[2-(Hydroxymethyl)-3-methyl-1-oxocyclopent-5-yl]but-3-enoate
Alternate Name(s) 2-(3-Hydroxymethyl-4-methyl-2-oxo-cyclopent-3-enyl)-pent-4-enoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-4-5-9(13(16)17-3)10-6-8(2)11(7-14)12(10)15/h4,9-10,14H,1,5-7H2,2-3H3
InChIKey RRQPSYZSHVWCRE-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES OCC=1C(C(C(C(=O)OC)CC=C)CC1C)=O
SPLASH splash10-004i-5900000000-f6b4ae8507df1b5d1b00
Source of Spectrum F-48-3159-29
Wiley ID 1240563