| SpectraBase Spectrum ID |
CaFpPKag67S |
| Name |
4-[N-(T-Butoxycarbonyl)amino]-4-[1'-(phenylsulfonyl)ethyl]-2,5-cyclohexadienone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.129694014 u |
| Formula |
C19H23NO5S |
| InChI |
InChI=1S/C19H23NO5S/c1-14(26(23,24)16-8-6-5-7-9-16)19(12-10-15(21)11-13-19)20-17(22)25-18(2,3)4/h5-14H,1-4H3,(H,20,22) |
| InChIKey |
URWJEKMIZIYSQF-UHFFFAOYSA-N |
| Molecular Weight |
377.455 g/mol |
| SMILES |
C(S(=O)(=O)C=1C=CC=CC1)(C1(NC(OC(C)(C)C)=O)C=CC(C=C1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94847 |
![4-[N-(t-Butoxycarbonyl)amino]-4-[1'-(phenylsulfonyl)ethyl]-2,5-cyclohexadienone](/api/spectrum/CaFpPKag67S/structure.png?h=300&w=458 "4-[N-(t-Butoxycarbonyl)amino]-4-[1'-(phenylsulfonyl)ethyl]-2,5-cyclohexadienone")
