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(E,7S)-N-[(E)-3-chloranyl-2-(6-oxidanylidenecyclohexen-1-yl)prop-2-enyl]-7-methoxy-tetradec-4-enamide
SpectraBase Compound ID GNy0J36izow
InChI InChI=1S/C24H38ClNO3/c1-3-4-5-6-8-13-21(29-2)14-9-7-10-17-24(28)26-19-20(18-25)22-15-11-12-16-23(22)27/h7,9,15,18,21H,3-6,8,10-14,16-17,19H2,1-2H3,(H,26,28)/b9-7+,20-18-/t21-/m0/s1
InChIKey MFDHYPQDDSVRFS-KLNBHVKMSA-N
Mol Weight 424.0 g/mol
Molecular Formula C24H38ClNO3
Exact Mass 423.254022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID En8zJfpyzTY
Name (E,7S)-N-[(E)-3-chloranyl-2-(6-oxidanylidenecyclohexen-1-yl)prop-2-enyl]-7-methoxy-tetradec-4-enamide
CAS Registry Number 96845-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38ClNO3
InChI InChI=1S/C24H38ClNO3/c1-3-4-5-6-8-13-21(29-2)14-9-7-10-17-24(28)26-19-20(18-25)22-15-11-12-16-23(22)27/h7,9,15,18,21H,3-6,8,10-14,16-17,19H2,1-2H3,(H,26,28)/b9-7+,20-18-/t21-/m0/s1
InChIKey MFDHYPQDDSVRFS-KLNBHVKMSA-N
Molecular Weight 424.025 g/mol
SMILES N(C(=O)CC\C=C\C[C@@](OC)(CCCCCCC)[H])C\C(C=1C(=O)CCCC1)=C\Cl
SPLASH splash10-001l-0690000000-2ad4c60131a8811c6984
Source of Spectrum J-50-2861-5
Synonyms (E,7S)-N-[(E)-3-chloro-2-(6-ketocyclohexen-1-yl)allyl]-7-methoxy-tetradec-4-enamide (E,7S)-N-[(E)-3-chloro-2-(6-oxo-1-cyclohexenyl)prop-2-enyl]-7-methoxy-4-tetradecenamide (E,7S)-N-[(E)-3-chloro-2-(6-oxocyclohexen-1-yl)allyl]-7-methoxy-tetradec-4-enamide (E,7S)-N-[(E)-3-chloro-2-(6-oxocyclohexen-1-yl)prop-2-enyl]-7-methoxytetradec-4-enamide
Wiley ID 1378977