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3-Butyn-2-ol, 4-[2,6,6-trimethyl-5-(3-methyl-2-butenyl)-1-cyclohexen-1-yl]-
SpectraBase Compound ID KusnJ0Akxu5
InChI InChI=1S/C18H28O/c1-13(2)7-10-16-11-8-14(3)17(18(16,5)6)12-9-15(4)19/h7,15-16,19H,8,10-11H2,1-6H3
InChIKey BUTSJPUHMJLIBG-UHFFFAOYSA-N
Mol Weight 260.42 g/mol
Molecular Formula C18H28O
Exact Mass 260.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1Ya7zymP8
Name 3-Butyn-2-ol, 4-[2,6,6-trimethyl-5-(3-methyl-2-butenyl)-1-cyclohexen-1-yl]-
Alternate Name(s) (R)-4-[5'-(3''-methyl-2''-butenyl)-2',6',6'-trimethyl-1'-cyclohexenyl]-3-butyn-2-ol 4-[2,6,6-trimethyl-5-(3-methyl-2-butenyl)-1-cyclohexen-1-yl]-3-butyn-2-ol
CAS Registry Number 108361-27-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O
InChI InChI=1S/C18H28O/c1-13(2)7-10-16-11-8-14(3)17(18(16,5)6)12-9-15(4)19/h7,15-16,19H,8,10-11H2,1-6H3
InChIKey BUTSJPUHMJLIBG-UHFFFAOYSA-N
Molecular Weight 260.421 g/mol
SMILES OC(C#CC=1C(C(CC=C(C)C)CCC1C)(C)C)C
SPLASH splash10-0zfs-9400000000-73dd2a2c2e1a6fd8e25d
Source of Spectrum H-69-654-0
Wiley ID 1264298