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(Z)-4,4-DIMETHYL-2-OXOTETRAHYDRO-(2-13C)-FURAN-3-YLIDENEACETIC-ACID
SpectraBase Compound ID HiWaMpVAM7c
InChI InChI=1S/C8H10O4/c1-8(2)4-12-7(11)5(8)3-6(9)10/h3H,4H2,1-2H3,(H,9,10)/b5-3+/i7+1
InChIKey PFVQYQSUKBYFJN-LGDSQYCRSA-N
Mol Weight 171.16 g/mol
Molecular Formula C713CH10O4
Exact Mass 171.061264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeMN1Gwb4c1
Name (Z)-2-(4,4-dimethyl-2-oxo-2-C13-dihydrofuran-3(2H)-ylidene)acetic acid
Comments Original formula: C7[13C]H10O4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10O4
InChI InChI=1S/C8H10O4/c1-8(2)4-12-7(11)5(8)3-6(9)10/h3H,4H2,1-2H3,(H,9,10)/b5-3+/i7+1
InChIKey PFVQYQSUKBYFJN-LGDSQYCRSA-N
Molecular Weight 171.156 g/mol
SMILES OC(\C=C\1[13C](OCC1(C)C)=O)=O
SPLASH splash10-0a4i-9200000000-d1e2d15f1d022d541f99
Source of Spectrum B-44-87-0
Synonyms (Z)-4,4-dimethyl-2-oxotetrahydro(2-¹³C)furan-3-ylideneacetic acid (Z)-4,4-Dimethyl-2-oxotetrahydro(2-¹³C)furan-3-yldeneacetic acid
Wiley ID 1166351