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5MT-NB3B 2HFB
SpectraBase Compound ID 57OQQGKqEEf
InChI InChI=1S/C26H17BrF14N2O3/c1-46-16-5-6-18-17(10-16)14(12-43(18)20(45)22(30,31)24(34,35)26(39,40)41)7-8-42(11-13-3-2-4-15(27)9-13)19(44)21(28,29)23(32,33)25(36,37)38/h2-6,9-10,12H,7-8,11H2,1H3
InChIKey FSVRSIXOSUFHCY-UHFFFAOYSA-N
Mol Weight 751.31 g/mol
Molecular Formula C26H17BrF14N2O3
Exact Mass 750.0199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LeAHRfR6i4
Name 5MT-NB3B 2HFB
Classification Designer drug
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 750.019899694 u
Formula C26H17N2O3BrF14
InChI InChI=1S/C26H17BrF14N2O3/c1-46-16-5-6-18-17(10-16)14(12-43(18)20(45)22(30,31)24(34,35)26(39,40)41)7-8-42(11-13-3-2-4-15(27)9-13)19(44)21(28,29)23(32,33)25(36,37)38/h2-6,9-10,12H,7-8,11H2,1H3
InChIKey FSVRSIXOSUFHCY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 751.315 g/mol
SMILES c1(ccc2c(c1)c(c[n]2C(=O)C(F)(F)C(F)(F)C(F)(F)F)CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)Cc1cc(ccc1)Br)OC
SPLASH splash10-066r-0109000000-9792747227a6913eef5b
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_9907