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1,2-Propanediol, 2-(4-methyl-3-cyclohexen-1-yl)-, 1-benzoate, [R-(R*,R*)]-
SpectraBase Compound ID 6PvjHtmZ3qu
InChI InChI=1S/C17H22O3/c1-13-8-10-15(11-9-13)17(2,19)12-20-16(18)14-6-4-3-5-7-14/h3-8,15,19H,9-12H2,1-2H3/t15-,17-/m0/s1
InChIKey NKTAPQLWZVAUER-RDJZCZTQSA-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 7rVQ0Sz6euM
Name 1,2-Propanediol, 2-(4-methyl-3-cyclohexen-1-yl)-, 1-benzoate, [R-(R*,R*)]-
Alternate Name(s) (2R)-2-hydroxy-2-[(1R)-4-methyl-3-cyclohexen-1-yl]propyl benzoate Uroterpenyl benzoate
CAS Registry Number 88444-60-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-13-8-10-15(11-9-13)17(2,19)12-20-16(18)14-6-4-3-5-7-14/h3-8,15,19H,9-12H2,1-2H3/t15-,17-/m0/s1
InChIKey NKTAPQLWZVAUER-RDJZCZTQSA-N
Molecular Weight 274.360 g/mol
SMILES O[C@@](COC(=O)c1ccccc1)([C@]1(CC=C(CC1)C)[H])C
SPLASH splash10-0a5c-4900000000-9edfffc816df5fffce87
Source of Spectrum B-36-1492-0
Wiley ID 1278405