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Butyl 2-(5-tosyl-5,6-dihydrophenanthridin-6-yl)acetate
SpectraBase Compound ID 1RqTreGUzlT
InChI InChI=1S/C26H27NO4S/c1-3-4-17-31-26(28)18-25-23-11-6-5-9-21(23)22-10-7-8-12-24(22)27(25)32(29,30)20-15-13-19(2)14-16-20/h5-16,25H,3-4,17-18H2,1-2H3
InChIKey XNZXYGIBQSQNLQ-UHFFFAOYSA-N
Mol Weight 449.57 g/mol
Molecular Formula C26H27NO4S
Exact Mass 449.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EewKRxoWhBV
Name Butyl 2-(5-tosyl-5,6-dihydrophenanthridin-6-yl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27NO4S
InChI InChI=1S/C26H27NO4S/c1-3-4-17-31-26(28)18-25-23-11-6-5-9-21(23)22-10-7-8-12-24(22)27(25)32(29,30)20-15-13-19(2)14-16-20/h5-16,25H,3-4,17-18H2,1-2H3
InChIKey XNZXYGIBQSQNLQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201100651
Molecular Weight 449.565 g/mol
SMILES C(CC1N(c2ccccc2-c2ccccc12)S(=O)(=O)c1ccc(C)cc1)(=O)OCCCC
SPLASH splash10-000x-9007000000-be4118fbbd824124ecb0
Source of Spectrum ASC-354-347/SM10-20
Wiley ID 1762851