Debug Info

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2kNF3ij0tIu
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2kNF3ij0tIu
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Diethylstilbestrol 1ac I
SpectraBase Compound ID p4Puw57FVb
InChI InChI=1S/C20H22O3/c1-4-19(15-6-10-17(22)11-7-15)20(5-2)16-8-12-18(13-9-16)23-14(3)21/h6-13,22H,4-5H2,1-3H3/b20-19+
InChIKey KRQVPGASQFBKSX-FMQUCBEESA-N
Mol Weight 310.39 g/mol
Molecular Formula C20H22O3
Exact Mass 310.156895 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kNF3ij0tIu
Name Diethylstilbestrol AC I
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 310.156894565 u
Formula C20H22O3
InChI InChI=1S/C20H22O3/c1-4-19(15-6-10-17(22)11-7-15)20(5-2)16-8-12-18(13-9-16)23-14(3)21/h6-13,22H,4-5H2,1-3H3/b20-19+
InChIKey KRQVPGASQFBKSX-FMQUCBEESA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 310.393 g/mol
Nominal Mass 310 u
Quality 863
Retention Index 2289
SMILES OC1=CC=C(\C(=C\(C2=CC=C(C=C2)OC(=O)C)CC)CC)C=C1
SPLASH splash10-066s-1940000000-d108c2c161c13499de9b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-(4-(4-hydroxyphenyl)hex-3-en-3-yl)phenyl acetate
Technique GC/MS
Wiley ID DD2024_007804
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