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1-O-tert-butyl 7-O-methyl 3-hydroxy-2-methylideneheptanedioate
SpectraBase Compound ID 1066s1iyJKk
InChI InChI=1S/C13H22O5/c1-9(12(16)18-13(2,3)4)10(14)7-6-8-11(15)17-5/h10,14H,1,6-8H2,2-5H3
InChIKey VWEIFRCXPRUOLM-UHFFFAOYSA-N
Mol Weight 258.31 g/mol
Molecular Formula C13H22O5
Exact Mass 258.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99YeXmXZuH9
Name 1-O-tert-butyl 7-O-methyl 3-hydroxy-2-methylideneheptanedioate
CAS Registry Number 115204-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O5
InChI InChI=1S/C13H22O5/c1-9(12(16)18-13(2,3)4)10(14)7-6-8-11(15)17-5/h10,14H,1,6-8H2,2-5H3
InChIKey VWEIFRCXPRUOLM-UHFFFAOYSA-N
Molecular Weight 258.314 g/mol
SMILES OC(C(C(OC(C)(C)C)=O)=C)CCCC(=O)OC
SPLASH splash10-0zfr-8900000000-250a6519322240347a5b
Source of Spectrum J-53-3706-5
Synonyms 3-Hydroxy-2-methylene-pimelic acid O1-tert-butyl ester O7-methyl ester 3-Hydroxy-2-methyleneheptanedioic acid O1-tert-butyl ester O7-methyl ester O1-tert-butyl O7-methyl 2-methylidene-3-oxidanyl-heptanedioate O1-tert-butyl O7-methyl 3-hydroxy-2-methylene-heptanedioate
Wiley ID 1261565