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Azulene, 3,3a-dihydro-1,4-dimethyl-, (S)-
SpectraBase Compound ID 4oX1shdQwn2
InChI InChI=1S/C12H14/c1-9-5-3-4-6-11-10(2)7-8-12(9)11/h3-7,12H,8H2,1-2H3/t12-/m0/s1
InChIKey PJSBZKIKQQHYPD-LBPRGKRZSA-N
Mol Weight 158.24 g/mol
Molecular Formula C12H14
Exact Mass 158.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56PynbXHGfr
Name Azulene, 3,3a-dihydro-1,4-dimethyl-, (S)-
Alternate Name(s) (8aS)-3,8-dimethyl-1,8a-dihydroazulene
CAS Registry Number 85337-23-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14
InChI InChI=1S/C12H14/c1-9-5-3-4-6-11-10(2)7-8-12(9)11/h3-7,12H,8H2,1-2H3/t12-/m0/s1
InChIKey PJSBZKIKQQHYPD-LBPRGKRZSA-N
Molecular Weight 158.244 g/mol
SMILES C1=2[C@](C(=CC=CC2)C)(CC=C1C)[H]
SPLASH splash10-002f-0900000000-8f96cc943c758e73cb05
Source of Spectrum C-105-4058-0
Wiley ID 1155945