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2-Chloroestradiol

View entire compound with spectra: 1 MS (GC)

2-Chloroestradiol
SpectraBase Compound ID 7zIrQwpnXyp
InChI InChI=1S/C18H23ClO2/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/h8-9,11-12,14,17,20-21H,2-7H2,1H3
InChIKey GCBCRGZIRHMTNJ-UHFFFAOYSA-N
Mol Weight 306.83 g/mol
Molecular Formula C18H23ClO2
Exact Mass 306.138658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELxRV5S8DPC
Name 2-Chloroestradiol
CAS Registry Number 88847-87-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23ClO2
InChI InChI=1S/C18H23ClO2/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/h8-9,11-12,14,17,20-21H,2-7H2,1H3
InChIKey GCBCRGZIRHMTNJ-UHFFFAOYSA-N
Molecular Weight 306.833 g/mol
SMILES OC1C2(CCC3C(CCc4cc(c(cc34)Cl)O)C2CC1)C
SPLASH splash10-0a4i-0569000000-57ba25b53cd12cfa7169
Source of Spectrum KC-1991-270-3
Wiley ID 1308202