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Cycloprop[a]indene-5-propanoic acid, 1,1a,1b,2,3,4,6,6a-octahydro-1b-methyl-6a-(1-methylethyl)-4-oxo-, [1aS-(1a.alpha.,1b.beta.,6a.alpha.)]-
SpectraBase Compound ID 55qbvUhmh9T
InChI InChI=1S/C17H24O3/c1-10(2)17-8-12-11(4-5-15(19)20)13(18)6-7-16(12,3)14(17)9-17/h10,14H,4-9H2,1-3H3,(H,19,20)/t14-,16+,17-/m1/s1
InChIKey XSUYLSJYOPFZDO-HYVNUMGLSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqwUM8wY7Ah
Name Cycloprop[a]indene-5-propanoic acid, 1,1a,1b,2,3,4,6,6a-octahydro-1b-methyl-6a-(1-methylethyl)-4-oxo-, [1aS-(1a.alpha.,1b.beta.,6a.alpha.)]-
CAS Registry Number 88166-36-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-10(2)17-8-12-11(4-5-15(19)20)13(18)6-7-16(12,3)14(17)9-17/h10,14H,4-9H2,1-3H3,(H,19,20)/t14-,16+,17-/m1/s1
InChIKey XSUYLSJYOPFZDO-HYVNUMGLSA-N
Molecular Weight 276.376 g/mol
SMILES OC(CCC1=C2C[C@]3([C@]([C@]2(CCC1=O)C)([H])C3)C(C)C)=O
SPLASH splash10-016r-0090000000-37aaa1b2aae9dab8979e
Source of Spectrum H-66-1815-0
Synonyms 3-[(1aS,1bR,6aS)-6a-isopropyl-1b-methyl-4-oxo-1,1a,1b,2,3,4,6,6a-octahydrocyclopropa[a]inden-5-yl]propanoic acid 4.alpha.-isopropyl-1.beta.-methyl-8-oxotricylo[4.4.0.0(2,4)]decen-6-ene-7-propionic acid
Wiley ID 1280311