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Danshenxinkun A

View entire compound with spectra: 1 MS (GC)

Danshenxinkun A
SpectraBase Compound ID 8OhaRQt1yrT
InChI InChI=1S/C18H16O4/c1-9-4-3-5-12-11(9)6-7-13-15(12)18(22)17(21)14(16(13)20)10(2)8-19/h3-7,10,19-20H,8H2,1-2H3
InChIKey GRGPQNRHXNRJFL-UHFFFAOYSA-N
Mol Weight 296.32 g/mol
Molecular Formula C18H16O4
Exact Mass 296.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xpbllSWVGD
Name Danshenxinkun A
CAS Registry Number 65907-75-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O4
InChI InChI=1S/C18H16O4/c1-9-4-3-5-12-11(9)6-7-13-15(12)18(22)17(21)14(16(13)20)10(2)8-19/h3-7,10,19-20H,8H2,1-2H3
InChIKey GRGPQNRHXNRJFL-UHFFFAOYSA-N
Molecular Weight 296.322 g/mol
SMILES OC1=C(C(CO)C)C(C(c2c3c(ccc12)c(ccc3)C)=O)=O
SPLASH splash10-014j-3490000000-d205395a6548c767a5a1
Source of Spectrum CD-562-0-0
Wiley ID 1299264