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Bicyclo[3.1.0]hexane-6-carboxylic acid, 1-(4-hydroxybutyl)-5-phenyl-, (1.alpha.,5.alpha.,6.alpha.)-
SpectraBase Compound ID H26Imv3tCCH
InChI InChI=1S/C17H22O3/c18-12-5-4-9-16-10-6-11-17(16,14(16)15(19)20)13-7-2-1-3-8-13/h1-3,7-8,14,18H,4-6,9-12H2,(H,19,20)/t14-,16-,17-/m1/s1
InChIKey HWQQGWBYCGJDKV-DJIMGWMZSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7s82vzwUtUR
Name Bicyclo[3.1.0]hexane-6-carboxylic acid, 1-(4-hydroxybutyl)-5-phenyl-, (1.alpha.,5.alpha.,6.alpha.)-
Alternate Name(s) (1S,5R,6R)-1-(4-hydroxybutyl)-5-phenylbicyclo[3.1.0]hexane-6-carboxylic acid exo-1-phenyl-5-(4'-hydroxybutyl)bicyclo(3.1.0)hexyl-6-carboxylic acid
CAS Registry Number 61114-34-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c18-12-5-4-9-16-10-6-11-17(16,14(16)15(19)20)13-7-2-1-3-8-13/h1-3,7-8,14,18H,4-6,9-12H2,(H,19,20)/t14-,16-,17-/m1/s1
InChIKey HWQQGWBYCGJDKV-DJIMGWMZSA-N
Molecular Weight 274.360 g/mol
SMILES OCCCC[C@@]12[C@]([C@@]2(C(=O)O)[H])(CCC1)c1ccccc1
SPLASH splash10-0a4i-2940000000-38623dbec934b89ed78a
Source of Spectrum C-98-5905-0
Wiley ID 1278393