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(3R,4R,7R)-3-Methyl-4-hydroxygermacra-1(10),5-diene
SpectraBase Compound ID HmFbj6Pc2h9
InChI InChI=1S/C16H28O/c1-12(2)15-9-7-13(3)6-8-14(4)16(5,17)11-10-15/h6,10-12,14-15,17H,7-9H2,1-5H3/b11-10+,13-6+/t14-,15+,16+/m1/s1
InChIKey QROCRGYFYCJIQR-MVHKSPRYSA-N
Mol Weight 236.4 g/mol
Molecular Formula C16H28O
Exact Mass 236.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GndtlGodTs4
Name (3R,4R,7R)-3-Methyl-4-hydroxygermacra-1(10),5-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O
InChI InChI=1S/C16H28O/c1-12(2)15-9-7-13(3)6-8-14(4)16(5,17)11-10-15/h6,10-12,14-15,17H,7-9H2,1-5H3/b11-10+,13-6+/t14-,15+,16+/m1/s1
InChIKey QROCRGYFYCJIQR-MVHKSPRYSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/chem.201905827
Molecular Weight 236.399 g/mol
Optical Rotation [a]D20 = +26.2 (c = 0.08, CH2Cl2)
SMILES O[C@]1(C)[C@@](C\C=C\(CC[C@@](\C=C\1)(C(C)C)[H])C)(C)[H]
SPLASH splash10-001i-9300000000-a51547042d2a6543177a
Source of Spectrum QE-26-SM67-20
Thin-Layer Chromatography Rf = 0.57 (Pentane/Et2O, 5/1)
Wiley ID 1858514