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5-(Benzyloxy)-1,1-diethoxyundec-3-yn-2-one

View entire compound with spectra: 1 MS (GC)

5-(Benzyloxy)-1,1-diethoxyundec-3-yn-2-one
SpectraBase Compound ID GHcBQpMCf5Y
InChI InChI=1S/C22H32O4/c1-4-7-8-12-15-20(26-18-19-13-10-9-11-14-19)16-17-21(23)22(24-5-2)25-6-3/h9-11,13-14,20,22H,4-8,12,15,18H2,1-3H3
InChIKey XNCAXAADGWYKGN-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jww34gXoEn
Name 5-(Benzyloxy)-1,1-diethoxyundec-3-yn-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-4-7-8-12-15-20(26-18-19-13-10-9-11-14-19)16-17-21(23)22(24-5-2)25-6-3/h9-11,13-14,20,22H,4-8,12,15,18H2,1-3H3
InChIKey XNCAXAADGWYKGN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200423
Molecular Weight 360.494 g/mol
SMILES C(C(C#CC(CCCCCC)OCc1ccccc1)=O)(OCC)OCC
SPLASH splash10-014l-8920000000-8a63f3c7e51b691eb3fb
Source of Spectrum H-95-2116-10c_Bn
Wiley ID 1784199