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(3-Butyl-2-ethoxy-1-hydroxy-4-oxo-2-cyclobutenyl)acetic acid
SpectraBase Compound ID KjkSOeYq6Ss
InChI InChI=1S/C12H18O5/c1-3-5-6-8-10(15)12(16,7-9(13)14)11(8)17-4-2/h16H,3-7H2,1-2H3,(H,13,14)
InChIKey ZQXGZHUSBVSKAX-UHFFFAOYSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98xkACfg45M
Name (3-Butyl-2-ethoxy-1-hydroxy-4-oxo-2-cyclobutenyl)acetic acid
Alternate Name(s) (3-butyl-2-ethoxy-1-hydroxy-4-oxo-2-cyclobuten-1-yl)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-3-5-6-8-10(15)12(16,7-9(13)14)11(8)17-4-2/h16H,3-7H2,1-2H3,(H,13,14)
InChIKey ZQXGZHUSBVSKAX-UHFFFAOYSA-N
Molecular Weight 242.271 g/mol
SMILES OC(CC1(C(OCC)=C(C1=O)CCCC)O)=O
SPLASH splash10-004i-0900000000-89fe382b76e5c4cbe10f
Source of Spectrum C-117-9661-25
Wiley ID 759210