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3-Pentenoic acid, 2,2-dimethyl-
SpectraBase Compound ID GcCmRUeN9Om
InChI InChI=1S/C7H12O2/c1-4-5-7(2,3)6(8)9/h4-5H,1-3H3,(H,8,9)/b5-4+
InChIKey WMAWBFFTFBALHM-SNAWJCMRSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RZCQqVfPTn
Name 3-Pentenoic acid, 2,2-dimethyl-
CAS Registry Number 16642-52-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-4-5-7(2,3)6(8)9/h4-5H,1-3H3,(H,8,9)/b5-4+
InChIKey WMAWBFFTFBALHM-SNAWJCMRSA-N
Molecular Weight 128.171 g/mol
SMILES OC(C(\C=C\C)(C)C)=O
SPLASH splash10-001i-9100000000-5be1e4f791faeb05e36f
Source of Spectrum OS-6-449-0
Synonyms (3E)-2,2-Dimethyl-3-pentenoic acid (E)-2,2-dimethyl-3-pentenoic acid (E)-2,2-dimethylpent-3-enoic acid 2,2-Dimethyl-3-pentenoic acid
Wiley ID 1131139