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2,3-Dimethoxy-4-(2-hexynyloxy)-4-(3-phenoxy-1-propynyl)-2-cyclobuten-1-one
SpectraBase Compound ID DQfiHZ9vSpv
InChI InChI=1S/C21H22O5/c1-4-5-6-10-16-26-21(19(22)18(23-2)20(21)24-3)14-11-15-25-17-12-8-7-9-13-17/h7-9,12-13H,4-5,15-16H2,1-3H3
InChIKey VGJCRALDDIGRLF-UHFFFAOYSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLvJpq3sRxp
Name 2,3-Dimethoxy-4-(2-hexynyloxy)-4-(3-phenoxy-1-propynyl)-2-cyclobuten-1-one
Alternate Name(s) 4-(2-hexynyloxy)-2,3-dimethoxy-4-(3-phenoxy-1-propynyl)-2-cyclobuten-1-one
CAS Registry Number 135482-09-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-4-5-6-10-16-26-21(19(22)18(23-2)20(21)24-3)14-11-15-25-17-12-8-7-9-13-17/h7-9,12-13H,4-5,15-16H2,1-3H3
InChIKey VGJCRALDDIGRLF-UHFFFAOYSA-N
Molecular Weight 354.402 g/mol
SMILES C1(C(OC)=C(C1=O)OC)(C#CCOc1ccccc1)OCC#CCCC
SPLASH splash10-0ldu-5955000000-e5564aba5099e1fc43a2
Source of Spectrum J-56-6108-16
Wiley ID 1344686