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2.beta.-Carbomethoxy-3.beta.-(4-chlorophenyl)-8-[(E)-3-(tributylstannyl)propen-1-yl]bortropane
SpectraBase Compound ID DvMYvI66FOQ
InChI InChI=1S/C18H21ClNO2.3C4H9.Sn/c1-3-10-20-14-8-9-16(20)17(18(21)22-2)15(11-14)12-4-6-13(19)7-5-12;3*1-3-4-2;/h1,3-7,14-17H,8-11H2,2H3;3*1,3-4H2,2H3;/t14-,15+,16+,17-;;;;/m0..../s1
InChIKey ZCFUSBZWBZNGBD-NPMYLGTKSA-N
Mol Weight 608.9 g/mol
Molecular Formula C30H48ClNO2Sn
Exact Mass 609.239559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Giugz1rBeCl
Name 2.beta.-Carbomethoxy-3.beta.-(4-chlorophenyl)-8-[(E)-3-(tributylstannyl)propen-1-yl]bortropane
Alternate Name(s) 2.beta.-Carbomethoxy-3.beta.-(4-chlorophenyl)-8-[(Z)-3-(tributylstannyl)propen-1-yl]bortropane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48ClNO2Sn
InChI InChI=1S/C18H21ClNO2.3C4H9.Sn/c1-3-10-20-14-8-9-16(20)17(18(21)22-2)15(11-14)12-4-6-13(19)7-5-12;3*1-3-4-2;/h1,3-7,14-17H,8-11H2,2H3;3*1,3-4H2,2H3;/t14-,15+,16+,17-;;;;/m0..../s1
InChIKey ZCFUSBZWBZNGBD-NPMYLGTKSA-N
Molecular Weight 608.883 g/mol
SMILES [C@@]1([C@@]2(N(C\C=C/[Sn](CCCC)(CCCC)CCCC)[C@](C[C@@]1(c1ccc(cc1)Cl)[H])(CC2)[H])[H])(C(=O)OC)[H]
SPLASH splash10-0udi-0000090000-b13ef9b6076daa31763c
Source of Spectrum E1-37-1540-6
Wiley ID 1575073