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Iso-febrifugine - free base

View entire compound with spectra: 1 MS (GC)

Iso-febrifugine - free base
SpectraBase Compound ID K4Q4rxgWAQS
InChI InChI=1S/C16H19N3O3/c20-15-11-4-1-2-5-12(11)18-10-19(15)9-16(21)8-13-14(22-16)6-3-7-17-13/h1-2,4-5,10,13-14,17,21H,3,6-9H2/t13-,14?,16?/m1/s1
InChIKey YLYLCQRQSRDSQR-VQCLRJIVSA-N
Mol Weight 301.35 g/mol
Molecular Formula C16H19N3O3
Exact Mass 301.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H33xHkfFl6n
Name Iso-febrifugine - free base
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N3O3
InChI InChI=1S/C16H19N3O3/c20-15-11-4-1-2-5-12(11)18-10-19(15)9-16(21)8-13-14(22-16)6-3-7-17-13/h1-2,4-5,10,13-14,17,21H,3,6-9H2/t13-,14?,16?/m1/s1
InChIKey YLYLCQRQSRDSQR-VQCLRJIVSA-N
Molecular Weight 301.346 g/mol
SMILES N1CCCC2OC(CN3C(c4ccccc4N=C3)=O)(C[C@@]12[H])O
SPLASH splash10-01p9-0930000000-905dc04b435022d98651
Source of Spectrum G4-61-732-2
Wiley ID 1607274