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(1R,2R,3S,5R)-3-O-Benzylpinanediol propionate

View entire compound with spectra: 1 MS (GC)

(1R,2R,3S,5R)-3-O-Benzylpinanediol propionate
SpectraBase Compound ID IuP1DVxHqMo
InChI InChI=1S/C20H28O3/c1-5-18(21)23-20(4)16-11-15(19(16,2)3)12-17(20)22-13-14-9-7-6-8-10-14/h6-10,15-17H,5,11-13H2,1-4H3/t15-,16-,17+,20-/m1/s1
InChIKey UBLSXXQFGMXXJB-PDOICOKGSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VKqDgJBqPm
Name (1R,2R,3S,5R)-3-O-Benzylpinanediol propionate
Alternate Name(s) Propanoic acid [(1R,3S,4R,5R)-4,6,6-trimethyl-3-phenylmethoxy-4-bicyclo[3.1.1]heptanyl] ester [(1R,2R,3S,5R)-3-benzyloxy-2,6,6-trimethyl-norpinan-2-yl] propanoate [(1R,3S,4R,5R)-4,6,6-trimethyl-3-phenylmethoxy-4-bicyclo[3.1.1]heptanyl] propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-5-18(21)23-20(4)16-11-15(19(16,2)3)12-17(20)22-13-14-9-7-6-8-10-14/h6-10,15-17H,5,11-13H2,1-4H3/t15-,16-,17+,20-/m1/s1
InChIKey UBLSXXQFGMXXJB-PDOICOKGSA-N
Molecular Weight 316.441 g/mol
SMILES [C@]12([C@]([C@@](OCc3ccccc3)(C[C@@](C1)(C2(C)C)[H])[H])(OC(=O)CC)C)[H]
SPLASH splash10-0a4l-9500000000-a05c24a8dea6e123d408
Source of Spectrum QC-11-3499-3
Wiley ID 860104