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3-OXO-GAMMA-COSTIC-ACID
SpectraBase Compound ID 7XkTXsEreZF
InChI InChI=1S/C15H20O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h11H,1,4-8H2,2-3H3,(H,17,18)/t11-,15+/m1/s1
InChIKey RDGFGQJFNSCICW-ABAIWWIYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CC7BVNANi2C
Name 2-[(2R,4aS)-4a,8-dimethyl-7-oxidanylidene-1,2,3,4,5,6-hexahydronaphthalen-2-yl]prop-2-enoic acid
CAS Registry Number 62458-42-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h11H,1,4-8H2,2-3H3,(H,17,18)/t11-,15+/m1/s1
InChIKey RDGFGQJFNSCICW-ABAIWWIYSA-N
Molecular Weight 248.322 g/mol
SMILES OC(C([C@]1(CC2=C(C(=O)CC[C@@]2(CC1)C)C)[H])=C)=O
SPLASH splash10-001m-2490000000-83f3cf009196927e45e0
Source of Spectrum QC-7-2611-4
Synonyms 2-[(2R,4aS)-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl]-2-propenoic acid 2-[(2R,4aS)-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl]prop-2-enoic acid 2-[(2R,4aS)-7-keto-4a,8-dimethyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl]acrylic acid
Wiley ID 869436