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3-tert-Butyl-4-methoxy-cyclobut-3-ene-1,2-dione
SpectraBase Compound ID 5o5e3UMWox2
InChI InChI=1S/C9H12O3/c1-9(2,3)5-6(10)7(11)8(5)12-4/h1-4H3
InChIKey QGBXLGKASSBHGD-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID De6T3LWiV9b
Name 3-tert-Butyl-4-methoxy-cyclobut-3-ene-1,2-dione
Alternate Name(s) 3-tert-Butyl-4-methoxy-cyclobut-3-ene-1,2-quinone
CAS Registry Number 113976-77-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-9(2,3)5-6(10)7(11)8(5)12-4/h1-4H3
InChIKey QGBXLGKASSBHGD-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES C1(=C(OC)C(C1=O)=O)C(C)(C)C
SPLASH splash10-0a4l-9500000000-24aef96417105e28c8c3
Source of Spectrum J-53-2481-3
Wiley ID 1164373