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1-methoxy-4-[(1S)-3,3,4-trichloro-1-ethoxy-butyl]benzene
SpectraBase Compound ID II28stz8IUi
InChI InChI=1S/C13H17Cl3O2/c1-3-18-12(8-13(15,16)9-14)10-4-6-11(17-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3/t12-/m0/s1
InChIKey JHQUKMPGGGKBNK-LBPRGKRZSA-N
Mol Weight 311.64 g/mol
Molecular Formula C13H17Cl3O2
Exact Mass 310.029413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6eqJDu8hgQi
Name 1-methoxy-4-[(1S)-3,3,4-trichloro-1-ethoxy-butyl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17Cl3O2
InChI InChI=1S/C13H17Cl3O2/c1-3-18-12(8-13(15,16)9-14)10-4-6-11(17-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3/t12-/m0/s1
InChIKey JHQUKMPGGGKBNK-LBPRGKRZSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 311.636 g/mol
SMILES c1cc(ccc1OC)[C@@](OCC)(CC(CCl)(Cl)Cl)[H]
SPLASH splash10-014r-0900000000-c8a90546558b2ec1b4e0
Source of Spectrum CN112778068A
Wiley ID 1879862