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3-Methoxyestra-1(10),2,4,8-tetraen-17-one

View entire compound with spectra: 1 MS (GC)

3-Methoxyestra-1(10),2,4,8-tetraen-17-one
SpectraBase Compound ID 4qH6GTtGDF7
InChI InChI=1S/C19H22O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,17H,3,5,7-10H2,1-2H3/t17-,19-/m0/s1
InChIKey OPWFBDDCTNOIJT-HKUYNNGSSA-N
Mol Weight 282.38 g/mol
Molecular Formula C19H22O2
Exact Mass 282.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8n1KYjBk0VE
Name 3-Methoxyestra-1(10),2,4,8-tetraen-17-one
CAS Registry Number 6885-44-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O2
InChI InChI=1S/C19H22O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,17H,3,5,7-10H2,1-2H3/t17-,19-/m0/s1
InChIKey OPWFBDDCTNOIJT-HKUYNNGSSA-N
Molecular Weight 282.383 g/mol
SMILES C12=C(c3ccc(cc3CC2)OC)CC[C@]2([C@]1(CCC2=O)[H])C
SPLASH splash10-001i-0090000000-2a68f7347602a3aaa680
Source of Spectrum F-59-4294-19
Wiley ID 1678099