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N-(9'-Deoxyquinin-9'-yl)benzamide
SpectraBase Compound ID GSokcrKPoKA
InChI InChI=1S/C27H29N3O2/c1-3-18-17-30-14-12-20(18)15-25(30)26(29-27(31)19-7-5-4-6-8-19)22-11-13-28-24-10-9-21(32-2)16-23(22)24/h3-11,13,16,18,20,25-26H,1,12,14-15,17H2,2H3,(H,29,31)/t18-,20-,25-,26-/m1/s1
InChIKey XMLHYUQBMGVFAZ-SHKCYZCESA-N
Mol Weight 427.55 g/mol
Molecular Formula C27H29N3O2
Exact Mass 427.225977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Be44lmlqFy0
Name N-(9'-Deoxyquinin-9'-yl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29N3O2
InChI InChI=1S/C27H29N3O2/c1-3-18-17-30-14-12-20(18)15-25(30)26(29-27(31)19-7-5-4-6-8-19)22-11-13-28-24-10-9-21(32-2)16-23(22)24/h3-11,13,16,18,20,25-26H,1,12,14-15,17H2,2H3,(H,29,31)/t18-,20-,25-,26-/m1/s1
InChIKey XMLHYUQBMGVFAZ-SHKCYZCESA-N
Molecular Weight 427.548 g/mol
SMILES N([C@@]([C@@]1(N2C[C@]([C@@](C1)(CC2)[H])(C=C)[H])[H])(c1c2c(ccc(c2)OC)ncc1)[H])C(=O)c1ccccc1
SPLASH splash10-000i-0900000000-36cfdda7ec6ace999c01
Source of Spectrum AN-106-82-5
Synonyms N-[(9R)-6'-methoxycinchonan-9-yl]benzamide
Wiley ID 747649