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2-(1-hydroxyhexyl)-7-(1-bromopropyl)-1-oxacyclohepta-4-ene
SpectraBase Compound ID AKoEMi1V0qb
InChI InChI=1S/C15H27BrO2/c1-3-5-6-9-13(17)15-11-8-7-10-14(18-15)12(16)4-2/h7-8,12-15,17H,3-6,9-11H2,1-2H3
InChIKey LSUAEBFTGMGHIH-UHFFFAOYSA-N
Mol Weight 319.28 g/mol
Molecular Formula C15H27BrO2
Exact Mass 318.119443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtRwSMyzucF
Name 2-(1-hydroxyhexyl)-7-(1-bromopropyl)-1-oxacyclohepta-4-ene
Alternate Name(s) 1-[7-(1-bromopropyl)-2,3,6,7-tetrahydro-2-oxepinyl]-1-hexanol
CAS Registry Number 109671-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H27BrO2
InChI InChI=1S/C15H27BrO2/c1-3-5-6-9-13(17)15-11-8-7-10-14(18-15)12(16)4-2/h7-8,12-15,17H,3-6,9-11H2,1-2H3
InChIKey LSUAEBFTGMGHIH-UHFFFAOYSA-N
Molecular Weight 319.283 g/mol
SMILES OC(C1OC(C(Br)CC)CC=CC1)CCCCC
SPLASH splash10-05mt-9610000000-31c48a71ec337e20d832
Source of Spectrum AJ-59-2954-5
Wiley ID 1318225