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3-Oxocanol, 8-(1-bromopropyl)-2-pentyl-, [2S-[2.alpha.,3.alpha.,8.beta.(R*)]]-
SpectraBase Compound ID 8GFpmmKBx7Q
InChI InChI=1S/C15H29BrO2/c1-3-5-6-11-15-13(17)9-7-8-10-14(18-15)12(16)4-2/h12-15,17H,3-11H2,1-2H3
InChIKey VQHTZOWATORCJI-UHFFFAOYSA-N
Mol Weight 321.3 g/mol
Molecular Formula C15H29BrO2
Exact Mass 320.135093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dp7WzsWVZcH
Name 3-Oxocanol, 8-(1-bromopropyl)-2-pentyl-, [2S-[2.alpha.,3.alpha.,8.beta.(R*)]]-
Alternate Name(s) 2-(1-Bromopropyl)-7-hydroxy-8-pentyl-1-oxacyclooctane 8-(1-bromopropyl)-2-pentyl-3-oxocanol
CAS Registry Number 33069-35-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H29BrO2
InChI InChI=1S/C15H29BrO2/c1-3-5-6-11-15-13(17)9-7-8-10-14(18-15)12(16)4-2/h12-15,17H,3-11H2,1-2H3
InChIKey VQHTZOWATORCJI-UHFFFAOYSA-N
Molecular Weight 321.299 g/mol
SMILES OC1C(OC(C(Br)CC)CCCC1)CCCCC
SPLASH splash10-05al-9200000000-900c4ee2683bfc4c5ead
Source of Spectrum AJ-56-717-3
Wiley ID 1319867