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[8S-(5-ETA,8-BETA,8A-BETA)]-8-ACETOXY-1,2,3,5,6,7,8,8A-OCTAHYDRO-2,2-DIMETHYL-7-METHYLENE-4,5-AZULENE-DICARBOXALDEHYDE
SpectraBase Compound ID A7qYWk3TrAK
InChI InChI=1S/C17H22O4/c1-10-5-12(8-18)15(9-19)13-6-17(3,4)7-14(13)16(10)21-11(2)20/h8-9,12,14,16H,1,5-7H2,2-4H3/t12?,14?,16-/m1/s1
InChIKey LOOLKJKMRMWUNY-LDZOIKDWSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6B0P9Vk50C9
Name [8S-(5.eta.,8.beta.,8a.beta.)]-8-Acetoxy-1,2,3,5,6,7,8,8a-Octahydro-8-hydroxy-2,2-dimethyl-7-methylene-4,5-azulenedicarboxaldehyde
CAS Registry Number 141223-45-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-10-5-12(8-18)15(9-19)13-6-17(3,4)7-14(13)16(10)21-11(2)20/h8-9,12,14,16H,1,5-7H2,2-4H3/t12?,14?,16-/m1/s1
InChIKey LOOLKJKMRMWUNY-LDZOIKDWSA-N
Molecular Weight 290.359 g/mol
SMILES C1=2C([C@@](C(=C)CC(C2C=O)C=O)(OC(=O)C)[H])CC(C1)(C)C
SPLASH splash10-0q39-2940000000-4a88775376e861a2933f
Source of Spectrum J-57-3827-22
Wiley ID 1293768