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5MT-NB3F 2HFB
SpectraBase Compound ID A492xWgfebF
InChI InChI=1S/C26H17F15N2O3/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 LXLGDGQJFWQTIW-UHFFFAOYSA-N
Mol Weight 690.41 g/mol
Molecular Formula C26H17F15N2O3
Exact Mass 690.099965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qbe1JM3ajO
Name 5MT-NB3F 2HFB
Classification Designer drug
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 690.099964857 u
Formula C26H17N2O3F15
InChI InChI=1S/C26H17F15N2O3/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 LXLGDGQJFWQTIW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 690.409 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)F)OC
SPLASH splash10-0aor-1908000000-9b26b95ece026557a961
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_10012