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Methandrostenolone-A (-H2O) TFA III
SpectraBase Compound ID EWRP0x5aozm
InChI InChI=1S/C22H25F3O2/c1-13-4-7-17-16-6-5-14-12-15(27-19(26)22(23,24)25)8-10-21(14,3)18(16)9-11-20(13,17)2/h4-5,8,10,12,16-18H,6-7,9,11H2,1-3H3/t16-,17-,18-,20+,21-/m0/s1
InChIKey YDSBZPAPOREMTN-RDIJVOARSA-N
Mol Weight 378.44 g/mol
Molecular Formula C22H25F3O2
Exact Mass 378.180665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HdOEGYByuu
Name Methandrostenolone-A (-H2O) TFA III
Classification Pharmaceutical drug artifact derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 378.180664532 u
Formula C22H25F3O2
InChI InChI=1S/C22H25F3O2/c1-13-4-7-17-16-6-5-14-12-15(27-19(26)22(23,24)25)8-10-21(14,3)18(16)9-11-20(13,17)2/h4-5,8,10,12,16-18H,6-7,9,11H2,1-3H3/t16-,17-,18-,20+,21-/m0/s1
InChIKey YDSBZPAPOREMTN-RDIJVOARSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 378.435 g/mol
Nominal Mass 378 u
Quality 997
Retention Index 2174
SMILES [C@]12([C@@]([C@@]3(C(=CC2)C=C(C=C3)OC(C(F)(F)F)=O)C)(CC[C@]2([C@]1(CC=C2C)[H])C)[H])[H]
SPLASH splash10-02t9-3986000000-7d377025a5b28e79f10f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (3aS,3bS,9aR,9bS,11aS)-1,9a,11a-trimethyl-3a,3b,4,9a,9b,10,11,11a-octahydro-3H-\rcyclopenta[a]phenanthren-7-yl trifluoroacetate
Technique GC/MS
Wiley ID DD2024_011554