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1-Methylheptyl butyrate
SpectraBase Compound ID CeVAa0P2CKR
InChI InChI=1S/C12H24O2/c1-4-6-7-8-10-11(3)14-12(13)9-5-2/h11H,4-10H2,1-3H3
InChIKey RBIWXCXZWBFGAA-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RgaFLMF9WT
Name 1-Methylheptyl butyrate
CAS Registry Number 20286-44-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-4-6-7-8-10-11(3)14-12(13)9-5-2/h11H,4-10H2,1-3H3
InChIKey RBIWXCXZWBFGAA-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
SMILES C(C(OC(CCCCCC)C)=O)CC
SPLASH splash10-00dl-9100000000-daf0743af60b8161bef8
Source of Spectrum NP-4-1195-0
Synonyms Butanoic acid, 2-octyl ester Butanoic acid octan-2-yl ester 1-Methylheptyl butanoate Octan-2-yl butanoate
Wiley ID 1103597