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5.alpha.,7.alpha.,10.beta.H-4(14)-Patchoulen-2.alpha.-ol
SpectraBase Compound ID WsYxfgvER2
InChI InChI=1S/C15H24O/c1-9-7-13(16)15-10(2)5-6-11(8-12(9)15)14(15,3)4/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12+,13+,15+/m1/s1
InChIKey NVMNSYJDDAJQAQ-BIGJJFBESA-N
Mol Weight 220.36 g/mol
Molecular Formula C15H24O
Exact Mass 220.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ulwLd9GoJr
Name 5.alpha.,7.alpha.,10.beta.H-4(14)-Patchoulen-2.alpha.-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O
InChI InChI=1S/C15H24O/c1-9-7-13(16)15-10(2)5-6-11(8-12(9)15)14(15,3)4/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12+,13+,15+/m1/s1
InChIKey NVMNSYJDDAJQAQ-BIGJJFBESA-N
Instrument Name JEOL JMS-AX 505 HA
Ionization Type EI
Literature Reference DOI 10.1021/np030485f
Molecular Weight 220.356 g/mol
Optical Rotation [a]D25 = -16.4 (c = 1.2, CHCl3)
Reported Formula C15H24O
SMILES O[C@@]1([C@]23[C@@](C[C@@](CC[C@]3(C)[H])(C2(C)C)[H])(C(C1)=C)[H])[H]
SPLASH splash10-0udi-0690000000-283eda77ef766bca927a
Source of Spectrum G4-67-916-2
Wiley ID 1884017