| SpectraBase Spectrum ID |
IayvfYB851T |
| Name |
N-Chloroazasteroid 18 to 14-chloro-3-methoxy-16-aza-1,3,5,(10)-estratrien-15-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.133906650 u |
| Formula |
C18H22ClNO2 |
| InChI |
InChI=1S/C18H22ClNO2/c1-17-8-7-14-13-5-4-12(22-2)9-11(13)3-6-15(14)18(17,19)16(21)20-10-17/h4-5,9,14-15H,3,6-8,10H2,1-2H3,(H,20,21)/t14?,15?,17-,18?/m1/s1 |
| InChIKey |
ZUJCFMCVCHBCCO-SZBXFDNESA-N |
| Molecular Weight |
319.832 g/mol |
| SMILES |
C12(C3C(C=4C=CC(=CC4CC3)OC)CC[C@@]2(CNC1=O)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888074 |
