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

*Links on SpectraBase are not permalinks.
(1R,4S)-1-((S)-4-Iodobutan-2-yl)-6-methoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalene
SpectraBase Compound ID 2tXcnnfgkvc
InChI InChI=1S/C17H25IO/c1-11-5-6-14(12(2)7-8-18)16-9-13(3)17(19-4)10-15(11)16/h9-12,14H,5-8H2,1-4H3/t11-,12-,14+/m0/s1
InChIKey RYSIGRURIBKIPB-SGMGOOAPSA-N
Mol Weight 372.29 g/mol
Molecular Formula C17H25IO
Exact Mass 372.09501 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 4GjZSOS0zQR
Name (1R,4S)-1-((S)-4-Iodobutan-2-yl)-6-methoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalene
Appearance Highly viscous colorless oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25IO
GC Oven Program Oven temp 300 oC
InChI InChI=1S/C17H25IO/c1-11-5-6-14(12(2)7-8-18)16-9-13(3)17(19-4)10-15(11)16/h9-12,14H,5-8H2,1-4H3/t11-,12-,14+/m0/s1
InChIKey RYSIGRURIBKIPB-SGMGOOAPSA-N
Instrument Name Agilent GC6890-HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200058
Molecular Weight 372.290 g/mol
Optical Rotation [a]D20 = -95.5 (365 nm), -31.0 (436 nm), -8.5 (546 nm), -5.8 (579 nm), -5.2 (589 nm) (0.97 g/100 ml in CHCl3)
Quality 284
SMILES C12=C(C=C(C(=C2)C)OC)[C@](CC[C@@]1([C@@](C)(CCI)[H])[H])(C)[H]
SPLASH splash10-000i-0910000000-96bd12be565bf63aae6f
Source of Spectrum K1-2022-SM32-SI-9 (DOI: 10.1002/ejoc.202200058)
Thin-Layer Chromatography 0.4 (SiO2, cHex/EtOAc, 50:1)
Wiley ID 1898735