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Erogorgiaene
SpectraBase Compound ID 4N9QgIpom0F
InChI InChI=1S/C20H30/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,9,11,13,16-17,19H,6,8,10,12H2,1-5H3/t16-,17-,19+/m0/s1
InChIKey JWQVCYABIGUFIY-JENIJYKNSA-N
Mol Weight 270.46 g/mol
Molecular Formula C20H30
Exact Mass 270.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rAVf8UpSMx
Name rac-(1S,4R)-1,6-Dimethyl-4-((S)-6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene
Appearance Colorless oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30
GC Oven Program Oven temp 300 oC
InChI InChI=1S/C20H30/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,9,11,13,16-17,19H,6,8,10,12H2,1-5H3/t16-,17-,19+/m0/s1
InChIKey JWQVCYABIGUFIY-JENIJYKNSA-N
Instrument Name Agilent GC6890-HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200058
Molecular Weight 270.460 g/mol
Quality 258
SMILES C1=2[C@](CC[C@](C)(C2C=CC(C)=C1)[H])([C@](CCC=C(C)C)(C)[H])[H]
SPLASH splash10-0a4i-2900000000-457dbd76980ef4d9db1c
Sample Comments (+/-)-Erogorgiaen
Source of Spectrum K1-2022-SM65-rac-4a (DOI: 10.1002/ejoc.202200058)
Thin-Layer Chromatography 0.8 (SiO2, cHex/EtOAc, 5:1)
Wiley ID 1898718