| SpectraBase Spectrum ID |
1KCJVA2miNt |
| Name |
cis-N-[1-Acetonyl-2-oxo-4-(tritylthio)-3-azetidinyl]-2-phenylacetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
534.197714005 u |
| Formula |
C33H30N2O3S |
| InChI |
InChI=1S/C33H30N2O3S/c1-24(36)23-35-31(38)30(34-29(37)22-25-14-6-2-7-15-25)32(35)39-33(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,30,32H,22-23H2,1H3,(H,34,37)/t30-,32-/m1/s1 |
| InChIKey |
DGJBSEJYAYVANI-XLJNKUFUSA-N |
| Molecular Weight |
534.674 g/mol |
| SMILES |
N([C@@]1(C(N([C@@]1(SC(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)[H])CC(C)=O)=O)[H])C(CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.983391 |
![cis-N-[1-acetonyl-2-oxo-4-(tritylthio)-3-azetidinyl]-2-phenylacetamide](/api/spectrum/1KCJVA2miNt/structure.png?h=300&w=458 "cis-N-[1-acetonyl-2-oxo-4-(tritylthio)-3-azetidinyl]-2-phenylacetamide")
