cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/kwsoxpplwzodnz-inizcteosa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ((1S)-1-(furan-2-yl)tridecan-1-ol)
title: InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-16,18H,2-11,13H2,1H3/t16-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 156.9 (C-2), 141.8 (C-5), 110.1 (C-3), 105.7 (C-4), 67.8 (CHOH), 35.5, 31.9, 29.6 (CH2), 29.6 (2 x CH2), 29.5, 29.5, 29.4, 29.3, 25.5, 22.7 (CH2), 14.1 (CH3).
DOI: 10.14272/kwsoxpplwzodnz-inizcteosa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ((1S)-1-(furan-2-yl)tridecan-1-ol)
title: InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-16,18H,2-11,13H2,1H3/t16-/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.37 (m, 1H, H-5), 6.32 (dd, J = 3.2, 1.8 Hz, 1H, H-4), 6.22 (d, J = 3.2 Hz, 1H, H-3), 4.66 (t, J = 6.8 Hz, 1H, CHOH), 1.92 (s, 1H, OH), 1.83 (m, 2H, CH2), 1.48–1.21 (m, 20 H, 10 x CH2), 0.88 (t, J = 6.8 Hz, 3H, CH3).
DOI: 10.14272/kwsoxpplwzodnz-mrxnpfedsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-16,18H,2-11,13H2,1H3/t16-/m1/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.37 (m, 1H, H-5), 6.32 (dd, J = 3.2, 1.9 Hz, 1H, H-4), 6.22 (d, J = 3.2 Hz, 1H, H-3), 4.66 (t, J = 6.8 Hz, 1H, CHOH), 1.85–1.79 (m, 3H, OH + CH2), 1.49–1.20 (m, 20 H, 10 x CH2), 0.88 (t, J = 6.8 Hz, 3H, CH3).
DOI: 10.14272/kwsoxpplwzodnz-mrxnpfedsa-n.1
title: (1R)-1-Furan-2-yltridecan-1-ol
title: InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-16,18H,2-11,13H2,1H3/t16-/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-16,18H,2-11,13H2,1H3/t16-/m1/s1). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/kwsoxpplwzodnz-mrxnpfedsa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-16,18H,2-11,13H2,1H3/t16-/m1/s1

description: dataset for high-resolution mass spectrometry (HRMS) HRMS (ESI) calcd for C17H30NaO2⁺: 289.2138 [M+Na]⁺, found: 289.2139.
DOI: 10.14272/kwsoxpplwzodnz-mrxnpfedsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-16,18H,2-11,13H2,1H3/t16-/m1/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 156.9 (C-2), 141.8 (C-5), 110.1 (C-3), 105.7 (C-4), 67.8 (CHOH), 35.6, 31.9, 29.6 (CH2), 29.6 (2 x CH2), 29.6, 29.5, 29.4, 29.3, 25.5, 22.7 (CH2), 14.1 (CH3).
DOI: 10.14272/yvumnouottwtrw-nepjuhhusa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-11-12(14)9-10-13(11)15/h9-12,14H,2-8H2,1H3/t11-,12+/m1/s1

description: dataset for high-resolution mass spectrometry (HRMS) HRMS (ESI) calcd for C13H22NaO2⁺: 233.1512 [M+Na]⁺, found: 233.1510.
DOI: 10.14272/yvumnouottwtrw-nepjuhhusa-n.1
title: 4-Hydroxy-5-octylcyclopent-2-en-1-one
title: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-11-12(14)9-10-13(11)15/h9-12,14H,2-8H2,1H3/t11-,12+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-11-12(14)9-10-13(11)15/h9-12,14H,2-8H2,1H3/t11-,12+/m1/s1). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/yvumnouottwtrw-nepjuhhusa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-11-12(14)9-10-13(11)15/h9-12,14H,2-8H2,1H3/t11-,12+/m1/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.49 (dd, J = 5.8, 2.2 Hz, H-3), 6.20 (dd, J = 5.8, 1.1 Hz, 1H, H-2), 4.69 (s, 1H, H-4), 2.22 (m, 1H, H-5), 2.11 (s, 1H, OH), 1.86 (m, 1H, H-6a), 1.51–1.40 (m, 3H, H-6b + CH2), 1.40–1.20 (m, 10 H, 5 x CH2), 0.88 (t, J = 6.8 Hz, 3H, CH3). Missing Signal (1H, OH)
DOI: 10.14272/yvumnouottwtrw-nepjuhhusa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-11-12(14)9-10-13(11)15/h9-12,14H,2-8H2,1H3/t11-,12+/m1/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 208.0 (C-1), 161.4 (C-3), 134.4 (C-2), 76.8 (C-4), 55.5 (C-5), 31.8, 29.7, 29.4, 29.2, 28.6, 27.3, 22.6 (CH2), 14.1 (CH3).
DOI: 10.14272/mkkdumslkjqotq-dzgcqcfksa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-12-15(18)13(16)10-11-14(15)17/h10-11,13,16,18H,2-9,12H2,1H3/t13-,15+/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3): δ 7.49 (dd, J = 6.1, 1.9 Hz, 1H, H‑-3), 6.30 (dd, J = 6.1, 1.6 Hz, 1H, H-2), 4.84 (t, J = 1.5 Hz, 1H, H-4), 2.88 (br s, 2H, 2 x OH), 1.75 (m, 1H, H-6a), 1.59 (m, 1H, H-6b), 1.34–1.17 (m, 16 H, 8 x CH2), 0.87 (t, J = 6.8 Hz, 3H, CH3) ppm.
DOI: 10.14272/mkkdumslkjqotq-dzgcqcfksa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-12-15(18)13(16)10-11-14(15)17/h10-11,13,16,18H,2-9,12H2,1H3/t13-,15+/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3): δ 207.1 (C-1), 161.1 (C-3), 131.9 (C-2), 83.5 (C-5), 78.5 (C-4), 34.8, 31.9, 30.1, 29.6, 29.5, 29.4, 29.3, 23.5, 22.7 (CH2), 14.1 (CH3) ppm.
DOI: 10.14272/mkkdumslkjqotq-dzgcqcfksa-n.1
title: 4,5-Dihydroxy-5-decylcyclopent-2-en-1-one
title: InChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-12-15(18)13(16)10-11-14(15)17/h10-11,13,16,18H,2-9,12H2,1H3/t13-,15+/m0/s1

description: This dataset contains experimental data from a sample (InChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-12-15(18)13(16)10-11-14(15)17/h10-11,13,16,18H,2-9,12H2,1H3/t13-,15+/m0/s1). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/mkkdumslkjqotq-dzgcqcfksa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-12-15(18)13(16)10-11-14(15)17/h10-11,13,16,18H,2-9,12H2,1H3/t13-,15+/m0/s1

description: dataset for high-resolution mass spectrometry (HRMS) HRMS (ESI) calcd for C15H25O3‾: 253.1809 [M–H]‾, found: 253.1813
DOI: 10.14272/tucaxgnmukbike-rdjzcztqsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C17H30O3/c1-5-6-7-8-9-10-13-17(19)14(18)11-12-15(17)20-16(2,3)4/h11-12,15,19H,5-10,13H2,1-4H3/t15-,17-/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.32 (dd, J = 6.1, 1.9 Hz, 1H, H-3), 6.23 (dd, J = 6.1, 1.7 Hz, 1H, H-2), 4.59 (t, J = 1.7 Hz, 1H, H-4), 1.73–1.50 (m, 2H, CH2), 1.29 (s, 9H, tBu), 1.32–1.17 (m, 12 H, 6 x CH2), 0.87 (t, J = 6.8 Hz, 3H, CH3). Missing Signal (1H, OH)
DOI: 10.14272/tucaxgnmukbike-rdjzcztqsa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C17H30O3/c1-5-6-7-8-9-10-13-17(19)14(18)11-12-15(17)20-16(2,3)4/h11-12,15,19H,5-10,13H2,1-4H3/t15-,17-/m0/s1

description: dataset for high-resolution mass spectrometry (HRMS) HRMS (ESI) calcd for C17H30NaO3⁺: 305.2087 [M+Na]⁺, found: 305.2092.
DOI: 10.14272/tucaxgnmukbike-rdjzcztqsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C17H30O3/c1-5-6-7-8-9-10-13-17(19)14(18)11-12-15(17)20-16(2,3)4/h11-12,15,19H,5-10,13H2,1-4H3/t15-,17-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 207.9 (C-1), 162.7 (C-3), 131.1 (C-2), 83.2 (C-5), 78.1 (C-4), 75.0 (CMe3), 35.6, 31.8, 30.0, 29.3, 29.2 (CH2), 28.2 (CMe3), 23.4, 22.6 (CH2), 14.1 (3 x CH3).
DOI: 10.14272/tucaxgnmukbike-rdjzcztqsa-n.1
title: 4-tert-Butoxy-5-hydroxy-5-octylcyclopent-2-en-1-one
title: InChI=1S/C17H30O3/c1-5-6-7-8-9-10-13-17(19)14(18)11-12-15(17)20-16(2,3)4/h11-12,15,19H,5-10,13H2,1-4H3/t15-,17-/m0/s1

description: This dataset contains experimental data from a sample (InChI=1S/C17H30O3/c1-5-6-7-8-9-10-13-17(19)14(18)11-12-15(17)20-16(2,3)4/h11-12,15,19H,5-10,13H2,1-4H3/t15-,17-/m0/s1). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/uugztqbokiwcdv-hkuynngssa-n.1
title: 4-tert-Butoxy-5-hydroxy-5-decylcyclopent-2-en-1-one
title: InChI=1S/C19H34O3/c1-5-6-7-8-9-10-11-12-15-19(21)16(20)13-14-17(19)22-18(2,3)4/h13-14,17,21H,5-12,15H2,1-4H3/t17-,19-/m0/s1

description: This dataset contains experimental data from a sample (InChI=1S/C19H34O3/c1-5-6-7-8-9-10-11-12-15-19(21)16(20)13-14-17(19)22-18(2,3)4/h13-14,17,21H,5-12,15H2,1-4H3/t17-,19-/m0/s1). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/uugztqbokiwcdv-hkuynngssa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C19H34O3/c1-5-6-7-8-9-10-11-12-15-19(21)16(20)13-14-17(19)22-18(2,3)4/h13-14,17,21H,5-12,15H2,1-4H3/t17-,19-/m0/s1

description: dataset for high-resolution mass spectrometry (HRMS) HRMS (ESI) calcd for C19H34NaO3⁺: 333.2400 [M+Na]⁺, found: 333.2404.
DOI: 10.14272/uugztqbokiwcdv-hkuynngssa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C19H34O3/c1-5-6-7-8-9-10-11-12-15-19(21)16(20)13-14-17(19)22-18(2,3)4/h13-14,17,21H,5-12,15H2,1-4H3/t17-,19-/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3): δ 7.31 (dd, J = 6.1, 1.9 Hz, 1H, H-3), 6.23 (dd, J = 6.1, 1.7 Hz, 1H, H-2), 4.59 (t, J = 1.6 Hz, 1H, H-4), 1.73–1.49 (m, 2H, CH2), 1.29 (s, 9H, tBu), 1.28–1.17 (m, 16 H, 8 x CH2), 0.87 (t, J = 6.8 Hz, 3H, CH3) ppm.Missing Signal (1H, OH)
DOI: 10.14272/uugztqbokiwcdv-hkuynngssa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C19H34O3/c1-5-6-7-8-9-10-11-12-15-19(21)16(20)13-14-17(19)22-18(2,3)4/h13-14,17,21H,5-12,15H2,1-4H3/t17-,19-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3): δ 207.8 (C-1), 162.6 (C-3), 131.1 (C-2), 83.2 (C-5), 78.1 (C-4), 75.0 (CMe3), 35.6, 31.9, 30.0, 29.6, 29.5, 29.4, 29.3 (CH2), 28.2 (CMe3), 23.4, 22.7 (CH2), 14.1 (3 x CH3) ppm.
DOI: 10.14272/xytfehovkcfnqd-fpovzhczsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C21H38O3/c1-5-6-7-8-9-10-11-12-13-14-17-21(23)18(22)15-16-19(21)24-20(2,3)4/h15-16,19,23H,5-14,17H2,1-4H3/t19-,21-/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.32 (dd, J = 6.1, 1.9 Hz, 1H, H-3), 6.23 (dd, J = 6.1, 1.7 Hz, 1H, H-2), 4.59 (t, J = 1.7 Hz, 1H, H-4), 1.73–1.50 (m, 2H, CH2), 1.29 (s, 9H, tBu), 1.28–1.18 (m, 20 H, 10 x CH2), 0.88 (t, J = 6.8 Hz, 3H, CH3). Missing Signal (1H, OH)
DOI: 10.14272/xytfehovkcfnqd-fpovzhczsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C21H38O3/c1-5-6-7-8-9-10-11-12-13-14-17-21(23)18(22)15-16-19(21)24-20(2,3)4/h15-16,19,23H,5-14,17H2,1-4H3/t19-,21-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 207.9 (C-1), 162.7 (C-3), 131.1 (C-2), 83.2 (C-5), 78.1 (C-4), 75.0 (CMe3), 35.6, 31.9, 30.0, 29.8, 29.6, 29.6, 29.5, 29.4, 29.3 (CH2), 28.2 (CMe3), 23.4, 22.7 (CH2), 14.1 (3 x CH3).
DOI: 10.14272/xytfehovkcfnqd-fpovzhczsa-n.1
title: 4-tert-Butoxy-5-hydroxy-5-dodecylcyclopent-2-en-1-one
title: InChI=1S/C21H38O3/c1-5-6-7-8-9-10-11-12-13-14-17-21(23)18(22)15-16-19(21)24-20(2,3)4/h15-16,19,23H,5-14,17H2,1-4H3/t19-,21-/m0/s1

description: This dataset contains experimental data from a sample (InChI=1S/C21H38O3/c1-5-6-7-8-9-10-11-12-13-14-17-21(23)18(22)15-16-19(21)24-20(2,3)4/h15-16,19,23H,5-14,17H2,1-4H3/t19-,21-/m0/s1). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/xytfehovkcfnqd-fpovzhczsa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C21H38O3/c1-5-6-7-8-9-10-11-12-13-14-17-21(23)18(22)15-16-19(21)24-20(2,3)4/h15-16,19,23H,5-14,17H2,1-4H3/t19-,21-/m0/s1

description: dataset for high-resolution mass spectrometry (HRMS) HRMS (ESI) calcd for C21H38NaO3⁺: 361.2713 [M+Na]⁺, found: 361.2719
DOI: 10.14272/jxwcyswfmbgjje-wcqyabfasa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C13H22O3/c1-2-3-4-5-6-7-10-13(16)11(14)8-9-12(13)15/h8-9,11,14,16H,2-7,10H2,1H3/t11-,13+/m0/s1

description: dataset for high-resolution mass spectrometry (HRMS) HRMS (ESI) calcd for C13H21O3‾: 225.1496 [M–H]‾, found: 225.1499
DOI: 10.14272/jxwcyswfmbgjje-wcqyabfasa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C13H22O3/c1-2-3-4-5-6-7-10-13(16)11(14)8-9-12(13)15/h8-9,11,14,16H,2-7,10H2,1H3/t11-,13+/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 207.1 (C-1), 161.1 (C-3), 131.9 (C‑-2), 83.5 (C-5), 78.5 (C-4), 34.8, 31.8, 30.3, 29.4, 29.2, 23.4, 22.6 (CH2), 14.1 (CH3).
DOI: 10.14272/jxwcyswfmbgjje-wcqyabfasa-n.1
title: 4,5-Dihydroxy-5-octylcyclopent-2-en-1-one
title: InChI=1S/C13H22O3/c1-2-3-4-5-6-7-10-13(16)11(14)8-9-12(13)15/h8-9,11,14,16H,2-7,10H2,1H3/t11-,13+/m0/s1

description: This dataset contains experimental data from a sample (InChI=1S/C13H22O3/c1-2-3-4-5-6-7-10-13(16)11(14)8-9-12(13)15/h8-9,11,14,16H,2-7,10H2,1H3/t11-,13+/m0/s1). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/jxwcyswfmbgjje-wcqyabfasa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C13H22O3/c1-2-3-4-5-6-7-10-13(16)11(14)8-9-12(13)15/h8-9,11,14,16H,2-7,10H2,1H3/t11-,13+/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.49 (dd, J = 6.1, 1.9 Hz, 1H, H-3), 6.30 (dd, J = 6.1, 1.7 Hz, 1H, H-2), 4.84 (t, J = 1.8 Hz, 1H, H-4), 2.95 (br. s, 2H, 2 x OH), 1.76 (m, 1H, H-6a), 1.59 (m, 1H, H-6b), 1.34–1.17 (m, 12 H, 6 x CH2), 0.87 (t, J = 6.8 Hz, 3H, CH3).
DOI: 10.14272/aubnjeajfrjwqj-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (1-(furan-2-yl)tridecan-1-one)
title: InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-15H,2-11,13H2,1H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS (ESI) calcd for C17H29O2⁺: 265.2162 [M+H]⁺, found: 265.2163.
DOI: 10.14272/aubnjeajfrjwqj-uhfffaoysa-n.1
title: 1-(furan-2-yl)tridecan-1-one
title: InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-15H,2-11,13H2,1H3

description: This dataset contains experimental data from a sample (1-(furan-2-yl)tridecan-1-one, InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-15H,2-11,13H2,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/aubnjeajfrjwqj-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-(furan-2-yl)tridecan-1-one)
title: InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-15H,2-11,13H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 189.8 (C=O), 152.9 (C-2), 146.1 (C-5), 116.7 (C-3), 112.1 (C-4), 38.5, 31.9, 29.6, 29.6, 29.6, 29.5, 29.4 (CH2), 29.3 (2 x CH2), 24.3, 22.7 (CH2), 14.1 (CH3).
DOI: 10.14272/aubnjeajfrjwqj-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-(furan-2-yl)tridecan-1-one)
title: InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-15H,2-11,13H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.57 (m, 1H, H-5), 7.17 (d, J = 3.6 Hz, 1H, H-3), 6.52 (dd, J = 3.5, 1.7 Hz, 1H, H-4), 2.81 (t, J = 7.5 Hz, 2H, CH2), 1.71 (m, 2H, CH2), 1.41–1.20 (m, 18 H, 9 x CH2), 0.88 (t, J = 6.8 Hz, 3H, CH3).
DOI: 10.14272/llhnppqnzjxjid-dotoqjqbsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(20)15(18)12-13-16(17)19/h12-13,15,18,20H,2-11,14H2,1H3/t15-,17+/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.48 (dd, J = 6.1, 1.9 Hz, 1H, H‑-3), 6.30 (dd, J = 6.1, 1.6 Hz, 1H, H-2), 4.84 (t, J = 1.7 Hz, 1H, H-4), 2.67 (br s, 2H, 2 x OH), 1.74 (m, 1H, H-6a), 1.58 (m, 1H, H-6b), 1.34–1.17 (m, 20 H, 10 x CH2), 0.88 (t, J = 6.8 Hz, 3H, CH3).
DOI: 10.14272/llhnppqnzjxjid-dotoqjqbsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(20)15(18)12-13-16(17)19/h12-13,15,18,20H,2-11,14H2,1H3/t15-,17+/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 207.1 (C-1), 161.0 (C-3), 131.9 (C-2), 83.5 (C-5), 78.6 (C-4), 34.7, 31.9, 30.1, 29.6, 29.6, 29.6, 29.5, 29.4, 29.3, 23.4, 22.7 (CH2), 14.1 (CH3).
DOI: 10.14272/llhnppqnzjxjid-dotoqjqbsa-n.1
title: 4,5-Dihydroxy-5-dodecylcyclopent-2-en-1-one
title: InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(20)15(18)12-13-16(17)19/h12-13,15,18,20H,2-11,14H2,1H3/t15-,17+/m0/s1

description: This dataset contains experimental data from a sample (InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(20)15(18)12-13-16(17)19/h12-13,15,18,20H,2-11,14H2,1H3/t15-,17+/m0/s1). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/llhnppqnzjxjid-dotoqjqbsa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(20)15(18)12-13-16(17)19/h12-13,15,18,20H,2-11,14H2,1H3/t15-,17+/m0/s1

description: dataset for high-resolution mass spectrometry (HRMS) HRMS (ESI) calcd for C17H29O3‾: 281.2122 [M–H]‾, found: 281.2126
DOI: 10.14272/pkazahqkfjnvga-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (1-(furan-2-yl)undecan-1-one)
title: InChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-13H,2-9,11H2,1H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS (ESI) calcd for C15H25O2⁺: 237.1849 [M+H]⁺, found: 237.1853.
DOI: 10.14272/pkazahqkfjnvga-uhfffaoysa-n.1
title: 1-(furan-2-yl)undecan-1-one
title: InChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-13H,2-9,11H2,1H3

description: This dataset contains experimental data from a sample (1-(furan-2-yl)undecan-1-one, InChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-13H,2-9,11H2,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/pkazahqkfjnvga-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-(furan-2-yl)undecan-1-one)
title: InChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-13H,2-9,11H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.57 (m, 1H, H-5), 7.17 (d, J = 3.5 Hz, 1H, H-3), 6.52 (dd, J = 3.5, 1.7 Hz, 1H, H-4), 2.82 (t, J = 7.5 Hz, 2H, CH2), 1.71 (m, 2H, CH2), 1.41–1.18 (m, 14 H, 7 x CH2), 0.88 (t, J = 6.8 Hz, 3H, CH3).
DOI: 10.14272/pkazahqkfjnvga-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-(furan-2-yl)undecan-1-one)
title: InChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-13H,2-9,11H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 189.8 (C=O), 152.9 (C-2), 146.1 (C-5), 116.7 (C-3), 112.1 (C-4), 38.5, 31.9, 29.5, 29.5, 29.4, 29.3, 29.3, 24.3, 22.7 (CH2), 14.1 (CH3).
DOI: 10.14272/xdkmppwbmlmxlh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-(furan-2-yl)undecan-1-ol)
title: InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-14,16H,2-9,11H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 156.9 (C-2), 141.8 (C-5), 110.1 (C-3), 105.7 (C-4), 67.8 (CHOH), 35.6, 31.9, 29.6, 29.6, 29.5, 29.4, 29.3, 25.5, 22.7 (CH2), 14.1 (CH3).
DOI: 10.14272/xdkmppwbmlmxlh-uhfffaoysa-n.1
title: 1-Furan-2-ylundecan-1-ol
title: InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-14,16H,2-9,11H2,1H3

description: This dataset contains experimental data from a sample (1-(furan-2-yl)undecan-1-ol, InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-14,16H,2-9,11H2,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/xdkmppwbmlmxlh-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (1-(furan-2-yl)undecan-1-ol)
title: InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-14,16H,2-9,11H2,1H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS (ESI) calcd for C15H26NaO2⁺: 261.1825 [M+Na]⁺, found: 261.1831.
DOI: 10.14272/xdkmppwbmlmxlh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-(furan-2-yl)undecan-1-ol)
title: InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-14,16H,2-9,11H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.36 (m, 1H, H-5), 6.32 (dd, J = 3.2, 1.8 Hz, 1H, H-4), 6.22 (d, J = 3.2 Hz, 1H, H-3), 4.66 (t, J = 6.8 Hz, 1H, CHOH), 1.91 (s, 1H, OH), 1.83 (m, 2H, CH2), 1.47–1.20 (m, 16 H, 8 x CH2), 0.88 (t, J = 6.8 Hz, 3H, CH3).
DOI: 10.14272/kwsoxpplwzodnz-uhfffaoysa-n.1
title: 1-Furan-2-yltridecan-1-ol
title: InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-16,18H,2-11,13H2,1H3

description: This dataset contains experimental data from a sample (1-(furan-2-yl)tridecan-1-ol, InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-16,18H,2-11,13H2,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) high-resolution mass spectrometry (HRMS)