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7H-Furo[3,2-g][1]benzopyran-7-one, 9-(1,1-dimethyl-2-propynyl)-4-[(1,1-dimethyl-2-propynyl)oxy]-
SpectraBase Compound ID 67wHzPEMezI
InChI InChI=1S/C21H18O4/c1-7-20(3,4)16-18-14(11-12-23-18)17(25-21(5,6)8-2)13-9-10-15(22)24-19(13)16/h1-2,9-12H,3-6H3
InChIKey XRXUPGOGDNZYEB-UHFFFAOYSA-N
Mol Weight 334.37 g/mol
Molecular Formula C21H18O4
Exact Mass 334.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TRC1NWjazh
Name 7H-Furo[3,2-g][1]benzopyran-7-one, 9-(1,1-dimethyl-2-propynyl)-4-[(1,1-dimethyl-2-propynyl)oxy]-
CAS Registry Number 71503-87-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O4
InChI InChI=1S/C21H18O4/c1-7-20(3,4)16-18-14(11-12-23-18)17(25-21(5,6)8-2)13-9-10-15(22)24-19(13)16/h1-2,9-12H,3-6H3
InChIKey XRXUPGOGDNZYEB-UHFFFAOYSA-N
Molecular Weight 334.371 g/mol
SMILES c12c(c(OC(C#C)(C)C)c3c(c2C(C#C)(C)C)occ3)C=CC(O1)=O
SPLASH splash10-0udi-0190000000-df588ba6a7d7150d622c
Source of Spectrum F-35-698-0
Synonyms 5-0-7-bis(1,1-dimethylpropargyl)bergaptol 9-(1,1-dimethyl-2-propynyl)-4-[(1,1-dimethyl-2-propynyl)oxy]-7H-furo[3,2-g]chromen-7-one
Wiley ID 1331178