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N-(3-Iodoprop-2(E)-enyl)-2.beta.-carbomethoxy-3.beta.-(4'-isopropylphenyl)nortropane
SpectraBase Compound ID 2GShGpy8Uv9
InChI InChI=1S/C21H28INO2/c1-14(2)15-5-7-16(8-6-15)18-13-17-9-10-19(20(18)21(24)25-3)23(17)12-4-11-22/h4-8,11,14,17-20H,9-10,12-13H2,1-3H3/b11-4+/t17-,18-,19-,20+/m1/s1
InChIKey IFHWCFRFKGCQMZ-JOVJVUOISA-N
Mol Weight 453.36 g/mol
Molecular Formula C21H28INO2
Exact Mass 453.116474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Iq1mGP0eUb
Name N-(3-Iodoprop-2(E)-enyl)-2.beta.-carbomethoxy-3.beta.-(4'-isopropylphenyl)nortropane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28INO2
InChI InChI=1S/C21H28INO2/c1-14(2)15-5-7-16(8-6-15)18-13-17-9-10-19(20(18)21(24)25-3)23(17)12-4-11-22/h4-8,11,14,17-20H,9-10,12-13H2,1-3H3/b11-4+/t17-,18-,19-,20+/m1/s1
InChIKey IFHWCFRFKGCQMZ-JOVJVUOISA-N
Molecular Weight 453.364 g/mol
SMILES [C@@]1([C@@]2(N(C\C=C\I)[C@@](C[C@@]1(c1ccc(cc1)C(C)C)[H])(CC2)[H])[H])(C(=O)OC)[H]
SPLASH splash10-00bi-0889300000-9ae5a0ee290909278b27
Source of Spectrum E1-40-1371-3
Wiley ID 1599220