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(S)-12-methylgermacrene D
SpectraBase Compound ID 3sykHsVZZZS
InChI InChI=1S/C16H26/c1-5-15(4)16-11-9-13(2)7-6-8-14(3)10-12-16/h8-9,11,15-16H,2,5-7,10,12H2,1,3-4H3/b11-9+,14-8+/t15?,16-/m0/s1
InChIKey QXRCCGRKSTYBCF-VUARHMJZSA-N
Mol Weight 218.38 g/mol
Molecular Formula C16H26
Exact Mass 218.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B41AWBtXUtk
Name (S)-12-methylgermacrene D
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26
InChI InChI=1S/C16H26/c1-5-15(4)16-11-9-13(2)7-6-8-14(3)10-12-16/h8-9,11,15-16H,2,5-7,10,12H2,1,3-4H3/b11-9+,14-8+/t15?,16-/m0/s1
InChIKey QXRCCGRKSTYBCF-VUARHMJZSA-N
Instrument Name Perkin Elmer Clarus 680-Clarus SQ 8 C
Ionization Type EI
Literature Reference DOI 10.1002/anie.202001744
Molecular Weight 218.384 g/mol
SMILES C1C\C=C\(CC[C@](\C=C\C1=C)(C(CC)C)[H])C
SPLASH splash10-08fu-7900000000-3b023b99c07051710058
Source of Spectrum ACI-59-SM32-25
Wiley ID 1857949