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[(1R,2R)-2-(1-Ethoxy-2-iodo-ethoxy)-4-methyl-cyclohex-3-enylmethyl]-benzene
SpectraBase Compound ID 2x6l7J7DBVP
InChI InChI=1S/C18H25IO2/c1-3-20-18(13-19)21-17-11-14(2)9-10-16(17)12-15-7-5-4-6-8-15/h4-8,11,16-18H,3,9-10,12-13H2,1-2H3/t16-,17+,18?/m1/s1
InChIKey XRMMKMXZBIQBQD-DVKDBIPTSA-N
Mol Weight 400.3 g/mol
Molecular Formula C18H25IO2
Exact Mass 400.089925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8cQtkDRbaw
Name [(1R,2R)-2-(1-Ethoxy-2-iodo-ethoxy)-4-methyl-cyclohex-3-enylmethyl]-benzene
Alternate Name(s) trans-4-Benzyl-3-[(1.xi.)-1-ethoxy-2-iodoethoxy]-1-methylcyclohexene {[(1R,2R)-2-(1-ethoxy-2-iodoethoxy)-4-methyl-3-cyclohexen-1-yl]methyl}benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25IO2
InChI InChI=1S/C18H25IO2/c1-3-20-18(13-19)21-17-11-14(2)9-10-16(17)12-15-7-5-4-6-8-15/h4-8,11,16-18H,3,9-10,12-13H2,1-2H3/t16-,17+,18?/m1/s1
InChIKey XRMMKMXZBIQBQD-DVKDBIPTSA-N
Molecular Weight 400.300 g/mol
SMILES [C@]1(C=C(C)CC[C@@]1(Cc1ccccc1)[H])(OC(OCC)CI)[H]
SPLASH splash10-0f6x-9740000000-a8f71180b068a99b4f89
Source of Spectrum AJ-65-2424-4
Wiley ID 771682