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5MT-NB3I 2HFB
SpectraBase Compound ID 8nnWO4Zvcq0
InChI InChI=1S/C26H17F14IN2O3/c1-46-16-5-6-18-17(10-16)14(12-43(18)20(45)22(29,30)24(33,34)26(38,39)40)7-8-42(11-13-3-2-4-15(41)9-13)19(44)21(27,28)23(31,32)25(35,36)37/h2-6,9-10,12H,7-8,11H2,1H3
InChIKey XHUSHVAXDBMJCR-UHFFFAOYSA-N
Mol Weight 798.32 g/mol
Molecular Formula C26H17F14IN2O3
Exact Mass 798.006032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bAdRrKIZk
Name 5MT-NB3I 2HFB
Classification Designer drug
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 798.006031694 u
Formula C26H17N2O3IF14
InChI InChI=1S/C26H17F14IN2O3/c1-46-16-5-6-18-17(10-16)14(12-43(18)20(45)22(29,30)24(33,34)26(38,39)40)7-8-42(11-13-3-2-4-15(41)9-13)19(44)21(27,28)23(31,32)25(35,36)37/h2-6,9-10,12H,7-8,11H2,1H3
InChIKey XHUSHVAXDBMJCR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 798.315 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)I)OC
SPLASH splash10-066r-0129000000-f7f0a46e294e0e2fc75f
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_9926