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3r4YCgtYVE
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Cyclofenil artifact (deacetyl-) P1045
SpectraBase Compound ID 7nPuSncpO6K
InChI InChI=1S/C21H22O3/c1-15(22)24-20-13-9-18(10-14-20)21(16-5-3-2-4-6-16)17-7-11-19(23)12-8-17/h7-14,23H,2-6H2,1H3
InChIKey TWMJPMSBYMHQJD-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C21H22O3
Exact Mass 322.156895 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3r4YCgtYVE
Name Cyclofenil artifact (deacetyl-)
Classification Antiestrogen
Copyright Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 322.156894565 u
Formula C21H22O3
InChI InChI=1S/C21H22O3/c1-15(22)24-20-13-9-18(10-14-20)21(16-5-3-2-4-6-16)17-7-11-19(23)12-8-17/h7-14,23H,2-6H2,1H3
InChIKey TWMJPMSBYMHQJD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 322.404 g/mol
SMILES c1c(O)ccc(C(=C2CCCCC2)c2ccc(cc2)OC(C)=O)c1
SPLASH splash10-0089-0693000000-3d53a647c4de76b89c20
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3210
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