For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-[N-(t-Butoxycarbonyl)amino]-4-[1'-(phenylsulfonyl)benzyl]-2,5-cyclohexadienone
SpectraBase Compound ID Eq0YYPuzOoU
InChI InChI=1S/C24H25NO5S/c1-23(2,3)30-22(27)25-24(16-14-19(26)15-17-24)21(18-10-6-4-7-11-18)31(28,29)20-12-8-5-9-13-20/h4-17,21H,1-3H3,(H,25,27)
InChIKey SSZDQYORLWPRJY-UHFFFAOYSA-N
Mol Weight 439.53 g/mol
Molecular Formula C24H25NO5S
Exact Mass 439.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 79k4yGCrqCS
Name 4-[N-(t-Butoxycarbonyl)amino]-4-[1'-(phenylsulfonyl)benzyl]-2,5-cyclohexadienone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO5S
InChI InChI=1S/C24H25NO5S/c1-23(2,3)30-22(27)25-24(16-14-19(26)15-17-24)21(18-10-6-4-7-11-18)31(28,29)20-12-8-5-9-13-20/h4-17,21H,1-3H3,(H,25,27)
InChIKey SSZDQYORLWPRJY-UHFFFAOYSA-N
Molecular Weight 439.526 g/mol
SMILES N(C(OC(C)(C)C)=O)C1(C(S(=O)(=O)c2ccccc2)c2ccccc2)C=CC(C=C1)=O
SPLASH splash10-05us-9230000000-4fe4b60d3348c8a170b6
Source of Spectrum QE-14-632-41
Wiley ID 1691862