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(2S,5R)-2-Isopropyl-5-methylhept-6-enal
SpectraBase Compound ID Jr1zwf91c5H
InChI InChI=1S/C11H20O/c1-5-10(4)6-7-11(8-12)9(2)3/h5,8-11H,1,6-7H2,2-4H3/t10-,11+/m0/s1
InChIKey KTVXDGUSFUBYLU-WDEREUQCSA-N
Mol Weight 168.28 g/mol
Molecular Formula C11H20O
Exact Mass 168.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GvU4qAS1GE
Name (2S,5R)-2-Isopropyl-5-methylhept-6-enal
CAS Registry Number 126580-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O
InChI InChI=1S/C11H20O/c1-5-10(4)6-7-11(8-12)9(2)3/h5,8-11H,1,6-7H2,2-4H3/t10-,11+/m0/s1
InChIKey KTVXDGUSFUBYLU-WDEREUQCSA-N
Molecular Weight 168.280 g/mol
SMILES C(=C)[C@@](CC[C@](C=O)(C(C)C)[H])(C)[H]
SPLASH splash10-001i-9100000000-bd65c9cb57b3f894516a
Source of Spectrum J-55-3915-12
Synonyms (2S,5R)-2-isopropyl-5-methyl-6-heptenal
Wiley ID 1165261