| SpectraBase Compound ID | KYSmN7Lea9J |
|---|---|
| InChI | InChI=1S/C18H21ClO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1 |
| InChIKey | CESQEGKZVXLYKV-JPVZDGGYSA-N |
| Mol Weight | 304.82 g/mol |
| Molecular Formula | C18H21ClO2 |
| Exact Mass | 304.123008 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 92svVdr7Ttk |
|---|---|
| Name | 2-Chloroestrone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H21ClO2 |
| InChI | InChI=1S/C18H21ClO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1 |
| InChIKey | CESQEGKZVXLYKV-JPVZDGGYSA-N |
| Molecular Weight | 304.817 g/mol |
| SMILES | Oc1c(cc2[C@]3(CC[C@]4([C@]([C@@]3(CCc2c1)[H])(CCC4=O)[H])C)[H])Cl |
| SPLASH | splash10-0zfr-0129000000-a0e1b4984263c1dbf28c |
| Source of Spectrum | KC-1991-270-3 |
| Wiley ID | 1306538 |