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5-(.alpha-Hydroxy)isopentyl)-1,4-cycloheptadiene
SpectraBase Compound ID GTBjaQEG09e
InChI InChI=1S/C12H20O/c1-12(2,3)11(13)10-8-6-4-5-7-9-10/h4-6,8,10-11,13H,7,9H2,1-3H3/t10?,11-/m0/s1
InChIKey ICTCIOPSBMKHHM-DTIOYNMSSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6L18NdjMep9
Name 5-(.alpha-Hydroxy)isopentyl)-1,4-cycloheptadiene
Alternate Name(s) 5-(..alpha.-Hydroxy)isopentyl)-1,4-cycloheptadiene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-12(2,3)11(13)10-8-6-4-5-7-9-10/h4-6,8,10-11,13H,7,9H2,1-3H3/t10?,11-/m0/s1
InChIKey ICTCIOPSBMKHHM-DTIOYNMSSA-N
Molecular Weight 180.291 g/mol
SMILES O[C@](C(C)(C)C)(C1C=CC=CCC1)[H]
SPLASH splash10-00di-0900000000-ee1aab2fb90d10c7b9f2
Source of Spectrum AT-35-8616-2
Wiley ID 852972