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Andesine

View entire compound with spectra: 4 FTIR, and 1 MS (GC)

Andesine
SpectraBase Compound ID 2ef31Rb7bGe
InChI InChI=1S/C20H21NO6/c1-21(2)8-7-11-9-14(25-3)18(22)17-13(11)6-5-12-10-15(19(23)26-4)27-20(24)16(12)17/h5-6,9-10,22H,7-8H2,1-4H3
InChIKey XYQHCDPZBXIAGW-UHFFFAOYSA-N
Mol Weight 0.0 g/mol
Molecular Formula (Ca, Na)(Al, Si)4O8
Exact Mass 0.0 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hVOhbIpMtO
Name Andesine
Comments Removed - expert review: contamination (acetone))
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO6
InChI InChI=1S/C20H21NO6/c1-21(2)8-7-11-9-14(25-3)18(22)17-13(11)6-5-12-10-15(19(23)26-4)27-20(24)16(12)17/h5-6,9-10,22H,7-8H2,1-4H3
InChIKey XYQHCDPZBXIAGW-UHFFFAOYSA-N
Molecular Weight 371.389 g/mol
SMILES Oc1c2c3C(OC(=Cc3ccc2c(CCN(C)C)cc1OC)C(=O)OC)=O
SPLASH splash10-0a4i-9000000000-c9c05b8648051613c4e4
Source of Spectrum X2-51-454-538
Wiley ID 1602727