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Pregesterone

View entire compound with spectra: 73 NMR, and 29 MS (GC)

Pregesterone
SpectraBase Compound ID 2PysdQqzjJY
InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3
InChIKey RJKFOVLPORLFTN-UHFFFAOYSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9by8jhHt4H1
Name Pregesterone
Comments MONAID: JP003430
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3
InChIKey RJKFOVLPORLFTN-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 314.469 g/mol
SMILES C1(=O)CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(C)=O)C)C
SPLASH splash10-024l-6923000000-e59f1bfc899a5e37a122
Source of Spectrum SRH-2022-3430-0
Wiley ID 1825712