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(2S,5R)-2-Isopropyl-5-methylhept-6-enoic Acid
SpectraBase Compound ID 6OkaylViUhi
InChI InChI=1S/C11H20O2/c1-5-9(4)6-7-10(8(2)3)11(12)13/h5,8-10H,1,6-7H2,2-4H3,(H,12,13)/t9-,10-/m0/s1
InChIKey DFDLPBWPPLARKR-UWVGGRQHSA-N
Mol Weight 184.28 g/mol
Molecular Formula C11H20O2
Exact Mass 184.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxF0wnUJ8MO
Name (2S,5R)-2-Isopropyl-5-methylhept-6-enoic Acid
Alternate Name(s) (2S,5R)-2-isopropyl-5-methyl-6-heptenoic acid
CAS Registry Number 126580-58-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O2
InChI InChI=1S/C11H20O2/c1-5-9(4)6-7-10(8(2)3)11(12)13/h5,8-10H,1,6-7H2,2-4H3,(H,12,13)/t9-,10-/m0/s1
InChIKey DFDLPBWPPLARKR-UWVGGRQHSA-N
Molecular Weight 184.279 g/mol
SMILES OC([C@@](CC[C@](C=C)(C)[H])(C(C)C)[H])=O
SPLASH splash10-053f-9100000000-263dedc38de0931c8148
Source of Spectrum J-55-3915-11
Wiley ID 1181028