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Isoobtusol acetate

View entire compound with spectra: 1 MS (GC)

Isoobtusol acetate
SpectraBase Compound ID Egabl7DyqMp
InChI InChI=1S/C17H25Br2ClO2/c1-10-8-12(22-11(2)21)14(18)15(3,4)17(10)7-6-16(5,19)13(20)9-17/h12-14H,1,6-9H2,2-5H3/t12-,13+,14-,16+,17+/m0/s1
InChIKey LCTBUAFKAFMZQT-IUKJFTNHSA-N
Mol Weight 456.65 g/mol
Molecular Formula C17H25Br2ClO2
Exact Mass 453.990984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrLv23Uzpik
Name Isoobtusol acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25Br2ClO2
InChI InChI=1S/C17H25Br2ClO2/c1-10-8-12(22-11(2)21)14(18)15(3,4)17(10)7-6-16(5,19)13(20)9-17/h12-14H,1,6-9H2,2-5H3/t12-,13+,14-,16+,17+/m0/s1
InChIKey LCTBUAFKAFMZQT-IUKJFTNHSA-N
Molecular Weight 456.646 g/mol
SMILES [C@@]12(C([C@@](Br)([C@](CC2=C)(OC(=O)C)[H])[H])(C)C)C[C@@](Cl)([C@@](CC1)(Br)C)[H]
SPLASH splash10-0693-6915000000-4d2f2a5cdaad8eeb53f9
Source of Spectrum C-104-6421-0
Synonyms (2R,3S,6R,8R,9R)-2,9-dibromo-8-chloro-1,1,9-trimethyl-5-methylenespiro[5.5]undec-3-yl acetate Acetic acid[(3R,4R,6R,9S,10R)-3,10-dibromo-4-chloro-3,11,11-trimethyl-7-methylene-9-spiro[5.5]undecanyl]ester Acetic acid[(3R,4R,6R,9S,10R)-3,10-dibromo-4-chloro-3,11,11-trimethyl-7-methylene-spiro[5.5]undecan-9-yl]ester [(3R,4R,6R,9S,10R)-3,10-bis(bromanyl)-4-chloranyl-3,11,11-trimethyl-7-methylidene-spiro[5.5]undecan-9-yl]ethanoate [(3R,4R,6R,9S,10R)-3,10-dibromo-4-chloro-3,11,11-trimethyl-7-methylene-spiro[5.5]undecan-9-yl]acetate [(3R,4R,6R,9S,10R)-3,10-dibromo-4-chloro-3,11,11-trimethyl-7-methylidenespiro[5.5]undecan-9-yl]acetate Acetic acid [(3S,4R,6R,9R,10R)-4,9-dibromo-10-chloro-5,5,9-trimethyl-1-methylene-3-spiro[5.5]undecanyl] ester [(3S,4R,6R,9R,10R)-4,9-dibromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecan-3-yl] acetate [(3S,4R,6R,9R,10R)-4,9-dibromo-10-chloro-5,5,9-trimethyl-1-methylene-spiro[5.5]undecan-3-yl] acetate [(3S,4R,6R,9R,10R)-4,9-bis(bromanyl)-10-chloranyl-5,5,9-trimethyl-1-methylidene-spiro[5.5]undecan-3-yl] ethanoate
Wiley ID 1388593