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5-methoxy-4-methyl-7-(2-oxocyclohexanyloxy)coumarin
SpectraBase Compound ID 5OowRUWrPCH
InChI InChI=1S/C17H18O5/c1-10-7-16(19)22-15-9-11(8-14(20-2)17(10)15)21-13-6-4-3-5-12(13)18/h7-9,13H,3-6H2,1-2H3
InChIKey ANGQKVUVXCBQRC-UHFFFAOYSA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1NmuODX8i4
Name 5-methoxy-4-methyl-7-(2-oxocyclohexanyloxy)coumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-10-7-16(19)22-15-9-11(8-14(20-2)17(10)15)21-13-6-4-3-5-12(13)18/h7-9,13H,3-6H2,1-2H3
InChIKey ANGQKVUVXCBQRC-UHFFFAOYSA-N
Instrument Name Fisons QMD 1000 or VG ZAB2F
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19981230)12_24_2041
Molecular Weight 302.326 g/mol
SMILES c1c(c2c(cc1OC1CCCCC1=O)OC(C=C2C)=O)OC
SPLASH splash10-0zi0-3669000000-30143bea85fe4e956b6a
Source of Spectrum RCM-12-2042-3
Wiley ID 1836208