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1-(12-hydrocinnamoyl-16-methoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-trien-3-yl)-3-phenyl-propan-1-one

View entire compound with spectra: 1 MS (GC)

1-(12-hydrocinnamoyl-16-methoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-trien-3-yl)-3-phenyl-propan-1-one
SpectraBase Compound ID LQ33bAA4s1L
InChI InChI=1S/C32H39N3O5/c1-38-30-22-28-24-34(31(36)14-12-26-8-4-2-5-9-26)16-18-39-20-21-40-19-17-35(25-29(23-30)33-28)32(37)15-13-27-10-6-3-7-11-27/h2-11,22-23H,12-21,24-25H2,1H3
InChIKey NLMVPCZCJQSJDT-UHFFFAOYSA-N
Mol Weight 545.7 g/mol
Molecular Formula C32H39N3O5
Exact Mass 545.288971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7ZT7r2grNL
Name 1-(12-hydrocinnamoyl-16-methoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-trien-3-yl)-3-phenyl-propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H39N3O5
InChI InChI=1S/C32H39N3O5/c1-38-30-22-28-24-34(31(36)14-12-26-8-4-2-5-9-26)16-18-39-20-21-40-19-17-35(25-29(23-30)33-28)32(37)15-13-27-10-6-3-7-11-27/h2-11,22-23H,12-21,24-25H2,1H3
InChIKey NLMVPCZCJQSJDT-UHFFFAOYSA-N
Molecular Weight 545.680 g/mol
SMILES C(N1Cc2nc(CN(C(=O)CCc3ccccc3)CCOCCOCC1)cc(c2)OC)(=O)CCc1ccccc1
SPLASH splash10-01p2-0500590000-c63a752f627b9965de4e
Source of Spectrum U1-1999-852-4
Synonyms 1-[16-methoxy-12-(1-oxo-3-phenylpropyl)-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-trien-3-yl]-3-phenyl-1-propanone 1-[16-methoxy-12-(3-phenylpropanoyl)-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-trien-3-yl]-3-phenyl-propan-1-one
Wiley ID 752753