For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2C-B-FLY-NBOMe artifact (-4H) HFB
SpectraBase Compound ID Ky4L2mBtYQp
InChI InChI=1S/C25H20BrF6NO4/c1-23(27,25(30,31)32)24(28,29)22(34)33(13-14-5-3-4-6-18(14)35-2)10-7-15-16-8-11-37-21(16)19(26)17-9-12-36-20(15)17/h3-6,8-9,11-12H,7,10,13H2,1-2H3
InChIKey JBOPWMWRLMEDTF-UHFFFAOYSA-N
Mol Weight 592.33 g/mol
Molecular Formula C25H20BrF6NO4
Exact Mass 591.04799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 25iyLumqO
Name 2C-B-FLY-NBOMe artifact (-4H) HFB
Classification Designer drug
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 591.047990102 u
Formula C24H17NO4BrF7
InChI InChI=1S/C25H20BrF6NO4/c1-23(27,25(30,31)32)24(28,29)22(34)33(13-14-5-3-4-6-18(14)35-2)10-7-15-16-8-11-37-21(16)19(26)17-9-12-36-20(15)17/h3-6,8-9,11-12H,7,10,13H2,1-2H3
InChIKey JBOPWMWRLMEDTF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 592.332 g/mol
SMILES c1(c2c(c(c3c1cco3)CCN(Cc1ccccc1OC)C(C(F)(F)C(C)(F)C(F)(F)F)=O)cco2)Br
SPLASH splash10-0fk9-3920000000-abdbdfe8d290885dc6c7
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_10688