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2-Methoxy-3-[7-(Cinnamoyloxy)heptyl]-6-[6-(cinnamoyloxy)hexyl]pyridine
SpectraBase Compound ID KrwnaHBhjI4
InChI InChI=1S/C37H45NO5/c1-41-37-33(21-13-3-2-5-15-29-42-35(39)27-23-31-17-9-7-10-18-31)25-26-34(38-37)22-14-4-6-16-30-43-36(40)28-24-32-19-11-8-12-20-32/h7-12,17-20,23-28H,2-6,13-16,21-22,29-30H2,1H3/b27-23+,28-24+
InChIKey CWZMYESVMBYXSN-LMCGJEQXSA-N
Mol Weight 583.8 g/mol
Molecular Formula C37H45NO5
Exact Mass 583.329774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bF0QKYigLp
Name 2-Methoxy-3-[7-(Cinnamoyloxy)heptyl]-6-[6-(cinnamoyloxy)hexyl]pyridine
Alternate Name(s) 6-[6-methoxy-5-(7-{[(2E)-3-phenyl-2-propenoyl]oxy}heptyl)-2-pyridinyl]hexyl (2E)-3-phenyl-2-propenoate
CAS Registry Number 75949-33-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H45NO5
InChI InChI=1S/C37H45NO5/c1-41-37-33(21-13-3-2-5-15-29-42-35(39)27-23-31-17-9-7-10-18-31)25-26-34(38-37)22-14-4-6-16-30-43-36(40)28-24-32-19-11-8-12-20-32/h7-12,17-20,23-28H,2-6,13-16,21-22,29-30H2,1H3/b27-23+,28-24+
InChIKey CWZMYESVMBYXSN-LMCGJEQXSA-N
Molecular Weight 583.769 g/mol
SMILES c1(nc(ccc1CCCCCCCOC(\C=C\c1ccccc1)=O)CCCCCCOC(\C=C\c1ccccc1)=O)OC
SPLASH splash10-001i-0703590000-823bab6aba431b2fec5f
Source of Spectrum J-46-622-0
Wiley ID 1408774