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trans-(3R*,8aR*)-3,8a-Dihydro-3-n-propyl-8a-methylazulen-1(2H)-one
SpectraBase Compound ID 6Nqx9ZKpswq
InChI InChI=1S/C14H18O/c1-3-7-11-10-13(15)14(2)9-6-4-5-8-12(11)14/h4-6,8-9,11H,3,7,10H2,1-2H3/t11-,14-/m1/s1
InChIKey NEBDTKFKRDVSTI-BXUZGUMPSA-N
Mol Weight 202.3 g/mol
Molecular Formula C14H18O
Exact Mass 202.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NdTkgTn28
Name trans-(3R*,8aR*)-3,8a-Dihydro-3-n-propyl-8a-methylazulen-1(2H)-one
Alternate Name(s) (3R,8aR)-8a-methyl-3-propyl-3,8a-dihydro-1(2H)-azulenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O
InChI InChI=1S/C14H18O/c1-3-7-11-10-13(15)14(2)9-6-4-5-8-12(11)14/h4-6,8-9,11H,3,7,10H2,1-2H3/t11-,14-/m1/s1
InChIKey NEBDTKFKRDVSTI-BXUZGUMPSA-N
Molecular Weight 202.297 g/mol
SMILES [C@@]12(C([C@](CCC)(CC2=O)[H])=CC=CC=C1)C
SPLASH splash10-001l-7920000000-37e3abba707fae35c9a3
Source of Spectrum KC-0-4086-2
Wiley ID 827035