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3-(t-Butoxy)-3a-methyl-7-(Z)-[2'-(2"-bromophenyl)vinyl]-2,3,3a,4,7,7a-hexahydro-1H-indene
SpectraBase Compound ID 2kXjfudR5v5
InChI InChI=1S/C22H29BrO/c1-21(2,3)24-20-14-13-18-16(9-7-15-22(18,20)4)11-12-17-8-5-6-10-19(17)23/h5-12,16,18,20H,13-15H2,1-4H3/b12-11-/t16-,18?,20-,22-/m0/s1
InChIKey CJHVIULDINQKLP-HPKAJTBPSA-N
Mol Weight 389.38 g/mol
Molecular Formula C22H29BrO
Exact Mass 388.140179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbeuIJpcA08
Name 3-(t-Butoxy)-3a-methyl-7-(Z)-[2'-(2"-bromophenyl)vinyl]-2,3,3a,4,7,7a-hexahydro-1H-indene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29BrO
InChI InChI=1S/C22H29BrO/c1-21(2,3)24-20-14-13-18-16(9-7-15-22(18,20)4)11-12-17-8-5-6-10-19(17)23/h5-12,16,18,20H,13-15H2,1-4H3/b12-11-/t16-,18?,20-,22-/m0/s1
InChIKey CJHVIULDINQKLP-HPKAJTBPSA-N
Molecular Weight 389.377 g/mol
SMILES [C@]12(C(CC[C@@]2(OC(C)(C)C)[H])[C@](\C=C/c2c(Br)cccc2)(C=CC1)[H])C
SPLASH splash10-0a4i-9120000000-4b99de185112f1a8ccf9
Source of Spectrum C-120-8976-23a
Wiley ID 1699852