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N-(DOI) Fentanyl
SpectraBase Compound ID JVL45045N0r
InChI InChI=1S/C25H33IN2O3/c1-5-25(29)28(20-9-7-6-8-10-20)21-11-13-27(14-12-21)18(2)15-19-16-24(31-4)22(26)17-23(19)30-3/h6-10,16-18,21H,5,11-15H2,1-4H3
InChIKey DWQJPNTVTUVHQJ-UHFFFAOYSA-N
Mol Weight 536.5 g/mol
Molecular Formula C25H33IN2O3
Exact Mass 536.153588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BExMZoa8J8
Name N-(DOI) Fentanyl
Catalog Number 28990
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33IN2O3
InChI InChI=1S/C25H33IN2O3/c1-5-25(29)28(20-9-7-6-8-10-20)21-11-13-27(14-12-21)18(2)15-19-16-24(31-4)22(26)17-23(19)30-3/h6-10,16-18,21H,5,11-15H2,1-4H3
InChIKey DWQJPNTVTUVHQJ-UHFFFAOYSA-N
Molecular Weight 536.454 g/mol
SMILES CCC(N(c1ccccc1)C1CCN(C(C)Cc2c(OC)cc(I)c(OC)c2)CC1)=O
SPLASH splash10-0a4i-5590000000-a25c494cefad6e19adf9
Source of Spectrum CAY-2023-136-0
Synonyms N-(4-iodo-2,5-DMA) Fentanyl 2',5'-dimethoxy 4'-iodo .alpha.-methyl Fentanyl
Wiley ID 1888102