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N-[2-(1-adamantyl)-1-(6-bromo-1,3-benzodioxol-5-yl)ethyl]aniline
SpectraBase Compound ID AmRgqYcA8HW
InChI InChI=1S/C25H28BrNO2/c26-21-10-24-23(28-15-29-24)9-20(21)22(27-19-4-2-1-3-5-19)14-25-11-16-6-17(12-25)8-18(7-16)13-25/h1-5,9-10,16-18,22,27H,6-8,11-15H2/t16-,17+,18-,22?,25-
InChIKey RCMFTPLSLUSLLR-DFIFGRFQSA-N
Mol Weight 454.41 g/mol
Molecular Formula C25H28BrNO2
Exact Mass 453.130342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G54WxSratvg
Name N-[2-(1-adamantyl)-1-(6-bromo-1,3-benzodioxol-5-yl)ethyl]aniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28BrNO2
InChI InChI=1S/C25H28BrNO2/c26-21-10-24-23(28-15-29-24)9-20(21)22(27-19-4-2-1-3-5-19)14-25-11-16-6-17(12-25)8-18(7-16)13-25/h1-5,9-10,16-18,22,27H,6-8,11-15H2/t16-,17+,18-,22?,25-
InChIKey RCMFTPLSLUSLLR-DFIFGRFQSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 454.408 g/mol
Reported Formula C25H29BrNO2
SMILES N(C(CC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])c1c(cc2c(c1)OCO2)Br)c1ccccc1
SPLASH splash10-000i-0904000000-0f081506694aa647aa86
Source of Spectrum CN108707081A
Wiley ID 1872501