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(6S)-(-)-6-bromoisolongifolenone
SpectraBase Compound ID 5k0TKhLSi7Z
InChI InChI=1S/C15H21BrO/c1-13(2)9-5-6-15(8-9)11(13)7-10(17)12(16)14(15,3)4/h7,9,12H,5-6,8H2,1-4H3/t9?,12-,15?/m1/s1
InChIKey IJMODZUITNASIC-YAKODHLKSA-N
Mol Weight 297.24 g/mol
Molecular Formula C15H21BrO
Exact Mass 296.077578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HD0ohxT3IyX
Name (6S)-(-)-6-bromoisolongifolenone
Appearance Colorless transparent crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21BrO
InChI InChI=1S/C15H21BrO/c1-13(2)9-5-6-15(8-9)11(13)7-10(17)12(16)14(15,3)4/h7,9,12H,5-6,8H2,1-4H3/t9?,12-,15?/m1/s1
InChIKey IJMODZUITNASIC-YAKODHLKSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 297.236 g/mol
Optical Rotation [a]D25 = -58 (c = 1mg/mL, CHCl3)
SMILES C1CC23CC1C(C3=CC([C@](C2(C)C)(Br)[H])=O)(C)C
SPLASH splash10-05r1-3970000000-3a167e4d4a1c69de82cf
Source of Spectrum CN105601484A
Wiley ID 1850864