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(2RS,5aRS,7RS,8SR,9aRS)-5-Chloromethyl-8-chloro-7-hydroxy-2,3,5a,6,7,8,9,9a-octahydro-2,5-mehano-8,10,10-trimethyl-1-benzoxepin

View entire compound with spectra: 1 MS (GC)

(2RS,5aRS,7RS,8SR,9aRS)-5-Chloromethyl-8-chloro-7-hydroxy-2,3,5a,6,7,8,9,9a-octahydro-2,5-mehano-8,10,10-trimethyl-1-benzoxepin
SpectraBase Compound ID LDPB3qV7I4z
InChI InChI=1S/C15H22Cl2O2/c1-13(2)11-5-4-9(8-16)15(13)6-10(18)14(3,17)7-12(15)19-11/h4,10-12,18H,5-8H2,1-3H3/t10-,11-,12-,14-,15-/m0/s1
InChIKey LIYRBSZSQIDKLQ-YLXLXVFQSA-N
Mol Weight 305.25 g/mol
Molecular Formula C15H22Cl2O2
Exact Mass 304.099685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYCe3RkLee4
Name (2RS,5aRS,7RS,8SR,9aRS)-5-Chloromethyl-8-chloro-7-hydroxy-2,3,5a,6,7,8,9,9a-octahydro-2,5-mehano-8,10,10-trimethyl-1-benzoxepin
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22Cl2O2
InChI InChI=1S/C15H22Cl2O2/c1-13(2)11-5-4-9(8-16)15(13)6-10(18)14(3,17)7-12(15)19-11/h4,10-12,18H,5-8H2,1-3H3/t10-,11-,12-,14-,15-/m0/s1
InChIKey LIYRBSZSQIDKLQ-YLXLXVFQSA-N
Molecular Weight 305.245 g/mol
SMILES O[C@@]1([C@](Cl)(C)C[C@]2([C@]3(C([C@@](O2)(CC=C3CCl)[H])(C)C)C1)[H])[H]
SPLASH splash10-0pb9-0009000000-a097ff2cff903e5b0bd6
Source of Spectrum E1-41-470-23
Wiley ID 1551935