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1-Methylheptyl 3-chloropropanoate
SpectraBase Compound ID JAtHS53Khj0
InChI InChI=1S/C11H21ClO2/c1-3-4-5-6-7-10(2)14-11(13)8-9-12/h10H,3-9H2,1-2H3
InChIKey FOPQMWMNACIDTR-UHFFFAOYSA-N
Mol Weight 220.74 g/mol
Molecular Formula C11H21ClO2
Exact Mass 220.123008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSMJ1oljLQ8
Name 1-Methylheptyl 3-chloropropanoate
CAS Registry Number 91369-32-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H21ClO2
InChI InChI=1S/C11H21ClO2/c1-3-4-5-6-7-10(2)14-11(13)8-9-12/h10H,3-9H2,1-2H3
InChIKey FOPQMWMNACIDTR-UHFFFAOYSA-N
Molecular Weight 220.740 g/mol
SMILES C(Cl)CC(OC(CCCCCC)C)=O
SPLASH splash10-0006-9200000000-6618cb2fd5ffaee21900
Source of Spectrum NP-5-2693-0
Synonyms 3-Chloropropanoic acid, 2-octyl ester 3-Chloropropanoic acid octan-2-yl ester Octan-2-yl 3-chloropropanoate Octan-2-yl 3-chloranylpropanoate
Wiley ID 1104741