| SpectraBase Spectrum ID |
BSaoyeZGVH2 |
| Name |
4-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 |
277.077264518 u |
| Formula |
C14H15NO3S |
| InChI |
InChI=1S/C14H15NO3S/c1-11(14(15)9-7-12(16)8-10-14)19(17,18)13-5-3-2-4-6-13/h2-11H,15H2,1H3 |
| InChIKey |
ZFVWLJXGAMBSLP-UHFFFAOYSA-N |
| Molecular Weight |
277.338 g/mol |
| SMILES |
C(S(=O)(=O)C=1C=CC=CC1)(C1(C=CC(C=C1)=O)N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930865 |
![4-Amino]-4-[1'-(phenylsulfonyl)ethyl]-2,5-cyclohexadienone](/api/spectrum/BSaoyeZGVH2/structure.png?h=300&w=458 "4-Amino]-4-[1'-(phenylsulfonyl)ethyl]-2,5-cyclohexadienone")
