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Arenine

View entire compound with spectra: 1 MS (GC)

Arenine
SpectraBase Compound ID 8mItgd0sVTG
InChI InChI=1S/C23H24N2O4/c1-25-7-3-4-19(25)17-12-24-18(16-10-20(26)22(27-2)11-15(16)17)8-14-5-6-21-23(9-14)29-13-28-21/h5-6,9-12,19,26H,3-4,7-8,13H2,1-2H3/t19-/m0/s1
InChIKey QTNXTKJLLAKSHD-IBGZPJMESA-N
Mol Weight 392.46 g/mol
Molecular Formula C23H24N2O4
Exact Mass 392.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RbA35tyqtb
Name Arenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24N2O4
InChI InChI=1S/C23H24N2O4/c1-25-7-3-4-19(25)17-12-24-18(16-10-20(26)22(27-2)11-15(16)17)8-14-5-6-21-23(9-14)29-13-28-21/h5-6,9-12,19,26H,3-4,7-8,13H2,1-2H3/t19-/m0/s1
InChIKey QTNXTKJLLAKSHD-IBGZPJMESA-N
Molecular Weight 392.455 g/mol
SMILES Oc1c(cc2c([C@]3(N(CCC3)C)[H])cnc(c2c1)Cc1cc2OCOc2cc1)OC
SPLASH splash10-001i-9106000000-19c92b7064fa0d81cc2f
Source of Spectrum X4-14-358-0
Wiley ID 1585238