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a-Patchoulene
SpectraBase Compound ID 4DkJpP3xoRW
InChI InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h5,10,12-13H,6-9H2,1-4H3/t10?,12-,13?,15+/m1/s1
InChIKey KVQOADNSNSUAJT-IONBAEIFSA-N
Mol Weight 204.36 g/mol
Molecular Formula C15H24
Exact Mass 204.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WCGcXs5BPk
Name .alpha.-Patchoulene
CAS Registry Number 560-32-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24
InChI InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h5,10,12-13H,6-9H2,1-4H3/t10?,12-,13?,15+/m1/s1
InChIKey KVQOADNSNSUAJT-IONBAEIFSA-N
Molecular Weight 204.357 g/mol
SMILES [C@]123C(C[C@](C3(C)C)(CC=C1C)[H])C(CC2)C
SPLASH splash10-0a4l-8900000000-c482cf58ce770ea2b92b
Source of Spectrum TA-0-1097-3
Synonyms 1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl-, (1.alpha.,3a.alpha.,7.alpha.,8a.beta.)- 1H-3a,7-Methanoazulene, 2,3,6,7,8,8a.alpha.-hexahydro-1.beta.,4,9,9-tetramethyl-
Wiley ID 1202662