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7-{[1-(2-Hydroxy-2-phenylethyl)-1H-1,2,3-triazol-4-yl]-methyl}-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione

View entire compound with spectra: 1 MS (GC)

7-{[1-(2-Hydroxy-2-phenylethyl)-1H-1,2,3-triazol-4-yl]-methyl}-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione
SpectraBase Compound ID KvFkU4T4YUe
InChI InChI=1S/C25H30N6O5/c32-21(19-6-2-1-3-7-19)16-31-15-20(28-29-31)14-30-12-10-26-24(33)17-35-22-8-4-5-9-23(22)36-18-25(34)27-11-13-30/h1-9,15,21,32H,10-14,16-18H2,(H,26,33)(H,27,34)
InChIKey RJYUBTIFWPCMPF-UHFFFAOYSA-N
Mol Weight 494.55 g/mol
Molecular Formula C25H30N6O5
Exact Mass 494.227768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Es47jDv4Opu
Name 7-{[1-(2-Hydroxy-2-phenylethyl)-1H-1,2,3-triazol-4-yl]-methyl}-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N6O5
InChI InChI=1S/C25H30N6O5/c32-21(19-6-2-1-3-7-19)16-31-15-20(28-29-31)14-30-12-10-26-24(33)17-35-22-8-4-5-9-23(22)36-18-25(34)27-11-13-30/h1-9,15,21,32H,10-14,16-18H2,(H,26,33)(H,27,34)
InChIKey RJYUBTIFWPCMPF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200900353
Molecular Weight 494.552 g/mol
SMILES N1CCN(Cc2c[n](CC(c3ccccc3)O)nn2)CCNC(=O)COc2ccccc2OCC1=O
SPLASH splash10-0kh9-9630100000-0bb8deedb6bb01764e85
Source of Spectrum ASC-351-2407-3j
Synonyms 7-((1-(2-hydroxy-2-phenylethyl)-1H-1,2,3-triazol-4-yl)methyl)-5,6,7,8,9,10-hexahydro-2H-benzo[b][1,4,7,10,13]dioxatriazacyclopentadecine-3,11(4H,12H)-dione
Wiley ID 1763408