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3-(N-Propylimino)-1(10),4(5),6(7)-estratrien-2,17-dione

View entire compound with spectra: 1 MS (GC)

3-(N-Propylimino)-1(10),4(5),6(7)-estratrien-2,17-dione
SpectraBase Compound ID 2gJ1dlVxvmB
InChI InChI=1S/C21H25NO2/c1-3-10-22-18-11-13-4-5-15-14(16(13)12-19(18)23)8-9-21(2)17(15)6-7-20(21)24/h4-5,11-12,14-15,17H,3,6-10H2,1-2H3/b22-18-
InChIKey KVXMORMXCRILHZ-PYCFMQQDSA-N
Mol Weight 323.44 g/mol
Molecular Formula C21H25NO2
Exact Mass 323.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Yka2rLsOdM
Name 3-(N-Propylimino)-1(10),4(5),6(7)-estratrien-2,17-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO2
InChI InChI=1S/C21H25NO2/c1-3-10-22-18-11-13-4-5-15-14(16(13)12-19(18)23)8-9-21(2)17(15)6-7-20(21)24/h4-5,11-12,14-15,17H,3,6-10H2,1-2H3/b22-18-
InChIKey KVXMORMXCRILHZ-PYCFMQQDSA-N
Molecular Weight 323.436 g/mol
SMILES C1=2C(=C\C(C(C2)=O)=N\CCC)C=CC2C1CCC1(C(=O)CCC21)C
SPLASH splash10-00y3-0093000000-652fb051a311dc4199a3
Source of Spectrum CRT-7-69-7
Wiley ID 1709433