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(2R)-2-(6-hydroxyhexyl)-3-methylene-butanedioic acid
SpectraBase Compound ID 2bJujoOfNQw
InChI InChI=1S/C11H18O5/c1-8(10(13)14)9(11(15)16)6-4-2-3-5-7-12/h9,12H,1-7H2,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKey DHVXMTMJTVCPBB-SECBINFHSA-N
Mol Weight 230.26 g/mol
Molecular Formula C11H18O5
Exact Mass 230.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17noAbqgKG
Name (2R)-2-(6-hydroxyhexyl)-3-methylene-butanedioic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O5
InChI InChI=1S/C11H18O5/c1-8(10(13)14)9(11(15)16)6-4-2-3-5-7-12/h9,12H,1-7H2,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKey DHVXMTMJTVCPBB-SECBINFHSA-N
Molecular Weight 230.260 g/mol
SMILES OC(C([C@@](CCCCCCO)(C(=O)O)[H])=C)=O
SPLASH splash10-0bwc-7900000000-e32e8222fe335b57ab66
Source of Spectrum X2-57-835-3
Synonyms (2R)-2-(6-hydroxyhexyl)-3-methylene-succinic acid (2R)-2-(6-hydroxyhexyl)-3-methylidenebutanedioic acid (3R)-2-methylidene-3-(6-oxidanylhexyl)butanedioic acid
Wiley ID 1605506