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4-Methyl-17-trichloroacetoxy-1-deutero-1,3,5(10)-estratriene
SpectraBase Compound ID 3N1Q5cruUqQ
InChI InChI=1S/C21H25Cl3O2/c1-12-4-3-5-14-13(12)6-7-16-15(14)10-11-20(2)17(16)8-9-18(20)26-19(25)21(22,23)24/h3-5,15-18H,6-11H2,1-2H3/t15-,16-,17+,18?,20+/m1/s1/i5D
InChIKey JMSFTRWEJOALJD-RLRLQTCFSA-N
Mol Weight 416.79 g/mol
Molecular Formula C21H242DCl3O2
Exact Mass 415.09829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 254oWA0ygBK
Name 4-Methyl-17-trichloroacetoxy-1-deutero-1,3,5(10)-estratriene
CAS Registry Number 55281-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24DCl3O2
InChI InChI=1S/C21H25Cl3O2/c1-12-4-3-5-14-13(12)6-7-16-15(14)10-11-20(2)17(16)8-9-18(20)26-19(25)21(22,23)24/h3-5,15-18H,6-11H2,1-2H3/t15-,16-,17+,18?,20+/m1/s1/i5D
InChIKey JMSFTRWEJOALJD-RLRLQTCFSA-N
Molecular Weight 416.794 g/mol
SMILES c1cc(c2[C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CCc2c1C)[H])[H])OC(=O)C(Cl)(Cl)Cl)C)[H])[2D]
SPLASH splash10-0560-4907000000-e27dee77512dad468c9a
Source of Spectrum JX-2015-6-233
Wiley ID 1727779