For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-((3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-4-yl)butan-1-ol
SpectraBase Compound ID LrpSTIJ35He
InChI InChI=1S/C13H20O3/c1-13(2)15-11-8-5-7-10(12(11)16-13)6-3-4-9-14/h5,7-8,11-12,14H,3-4,6,9H2,1-2H3/t11-,12+/m0/s1
InChIKey ZAHMCIIKMFQNMA-NWDGAFQWSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2pAoeDl2o4
Name 4-((3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-4-yl)butan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-13(2)15-11-8-5-7-10(12(11)16-13)6-3-4-9-14/h5,7-8,11-12,14H,3-4,6,9H2,1-2H3/t11-,12+/m0/s1
InChIKey ZAHMCIIKMFQNMA-NWDGAFQWSA-N
Literature Reference DOI 10.1021/jo400952u
Molecular Weight 224.300 g/mol
SMILES OCCCCC=1[C@]2(OC(O[C@]2(C=CC1)[H])(C)C)[H]
SPLASH splash10-052g-6900000000-e5777dd89a835bc0f916
Source of Spectrum J-78-7109-37
Synonyms 4-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-1-butanol
Wiley ID 1745621