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(+)-(2S)-1-Acetyl-9-(1-oxo-3-phenylprop-2-enyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one
SpectraBase Compound ID Kdu9QHfGuTc
InChI InChI=1S/C27H33N3O3/c1-22(31)30-20-9-8-18-29(27(33)16-15-23-11-4-2-5-12-23)19-10-17-28-26(32)21-25(30)24-13-6-3-7-14-24/h2-7,11-16,25H,8-10,17-21H2,1H3,(H,28,32)/t25-/m0/s1
InChIKey TUSQTPSIXKIHQH-VWLOTQADSA-N
Mol Weight 447.6 g/mol
Molecular Formula C27H33N3O3
Exact Mass 447.252192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYcojkQe4hN
Name (+)-(2S)-1-Acetyl-9-(1-oxo-3-phenylprop-2-enyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H33N3O3
InChI InChI=1S/C27H33N3O3/c1-22(31)30-20-9-8-18-29(27(33)16-15-23-11-4-2-5-12-23)19-10-17-28-26(32)21-25(30)24-13-6-3-7-14-24/h2-7,11-16,25H,8-10,17-21H2,1H3,(H,28,32)/t25-/m0/s1
InChIKey TUSQTPSIXKIHQH-VWLOTQADSA-N
Literature Reference DOI 10.1002/hlca.19970800604
Molecular Weight 447.579 g/mol
SMILES N1C(C[C@](N(CCCCN(CCC1)C(C=Cc1ccccc1)=O)C(=O)C)(c1ccccc1)[H])=O
SPLASH splash10-0uyj-2902700000-d6cf8b88652b3e58d0b4
Source of Spectrum H-80-1807-7
Synonyms (+)-(S)-Viburnine (S)-1-acetyl-2-phenyl-9-(3-phenylacryloyl)-1,5,9-triazacyclotridecan-4-one
Wiley ID 1785301