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(5R,8S,8aS)-5-Acetyl-3,8-dimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one
SpectraBase Compound ID 1pEIoOfezym
InChI InChI=1S/C14H20O2/c1-8-4-5-11(10(3)15)6-13-9(2)14(16)7-12(8)13/h8,11-12H,4-7H2,1-3H3/t8-,11+,12-/m0/s1
InChIKey NYEXKRCGIDCKKW-AXTRIDKLSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2WWJ6ykq7Y
Name (5R,8S,8aS)-5-Acetyl-3,8-dimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-8-4-5-11(10(3)15)6-13-9(2)14(16)7-12(8)13/h8,11-12H,4-7H2,1-3H3/t8-,11+,12-/m0/s1
InChIKey NYEXKRCGIDCKKW-AXTRIDKLSA-N
Molecular Weight 220.312 g/mol
SMILES C12=C(C(=O)C[C@]2([C@](CC[C@](C1)(C(=O)C)[H])(C)[H])[H])C
SPLASH splash10-00di-0690000000-db48b3e4f91c7f5e284c
Source of Spectrum G4-69-1235-8
Wiley ID 1694494