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 |