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1,3-Dimethyl 2-[4-iodo-1-phenyldec-3-en-2-yl]propanedioate

View entire compound with spectra: 1 NMR

1,3-Dimethyl 2-[4-iodo-1-phenyldec-3-en-2-yl]propanedioate
SpectraBase Compound ID 8GtaKyYtt77
InChI InChI=1S/C21H29IO4/c1-4-5-6-10-13-18(22)15-17(14-16-11-8-7-9-12-16)19(20(23)25-2)21(24)26-3/h7-9,11-12,15,17,19H,4-6,10,13-14H2,1-3H3/b18-15-
InChIKey SMYPVVOYUGBAGV-SDXDJHTJSA-N
Mol Weight 472.36 g/mol
Molecular Formula C21H29IO4
Exact Mass 472.111054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FdsWGjlOoDU
Name 1,3-Dimethyl 2-[4-iodo-1-phenyldec-3-en-2-yl]propanedioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.111054410 u
Formula C21H29IO4
InChI InChI=1S/C21H29IO4/c1-4-5-6-10-13-18(22)15-17(14-16-11-8-7-9-12-16)19(20(23)25-2)21(24)26-3/h7-9,11-12,15,17,19H,4-6,10,13-14H2,1-3H3/b18-15-
InChIKey SMYPVVOYUGBAGV-SDXDJHTJSA-N
Molecular Weight 472.363 g/mol
SMILES C(C(\C=C\(CCCCCC)I)CC1=CC=CC=C1)(C(OC)=O)C(OC)=O