| SpectraBase Spectrum ID |
LrXib1YY0No |
| Name |
Estra-1,3,5(10)-trien-17-one, 1-methyl-, oxime |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
283.193614428 u |
| Formula |
C19H25NO |
| InChI |
InChI=1S/C19H25NO/c1-12-4-3-5-13-6-7-14-15(18(12)13)10-11-19(2)16(14)8-9-17(19)20-21/h3-5,14-16,21H,6-11H2,1-2H3/b20-17+/t14-,15+,16+,19+/m1/s1 |
| InChIKey |
USSPQKGEQHLUKG-RJPNHMPTSA-N |
| Molecular Weight |
283.415 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC4=C([C@]3(CC2)[H])C(=CC=C4)C)[H])(CC\C1=N\O)[H])C |
