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Spiro[cyclohexan-1,6'-[2]oxabicyclo[3.2.0]heptan]-3'-one, 4'-cyclohexyliden-7'-(Z)-(4-hexadecanoyloxybenzoylmethylen)-1'-(4-hexadecan

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Spiro[cyclohexan-1,6'-[2]oxabicyclo[3.2.0]heptan]-3'-one, 4'-cyclohexyliden-7'-(Z)-(4-hexadecanoyloxybenzoylmethylen)-1'-(4-hexadecan
SpectraBase Compound ID 8jH8eZv1jVm
InChI InChI=1S/C41H58O5.C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23-36(43)45-33-26-24-31(25-27-33)35(42)30-34-39-38(41(34)28-19-15-20-29-41)37(40(44)46-39)32-21-16-14-17-22-32;1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h24-27,30,38-39H,2-23,28-29H2,1H3;14-16,18-19H,2-13,17,20H2,1H3/b34-30+;
InChIKey MTEZOAMJJUPYDZ-HNTAQFSESA-N
Mol Weight 963.4 g/mol
Molecular Formula C63H94O7
Exact Mass 962.699955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhsYHbpf8ZB
Name SPIRO[CYCLOHEXAN-1,6'-[2]OXABICYCLO[3.2.0]HEPTAN]-3'-ONE, 4'-CYCLOHEXYLIDEN-7'-(Z)-(4-HEXADECANOYLOXYBENZOYLMETHYLEN)-1'-(4-HEXADECAN
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C63H92O7
InChI InChI=1S/C41H58O5.C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23-36(43)45-33-26-24-31(25-27-33)35(42)30-34-39-38(41(34)28-19-15-20-29-41)37(40(44)46-39)32-21-16-14-17-22-32;1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h24-27,30,38-39H,2-23,28-29H2,1H3;14-16,18-19H,2-13,17,20H2,1H3/b34-30+;
InChIKey MTEZOAMJJUPYDZ-HNTAQFSESA-N
Molecular Weight 962.6975
SMILES c1ccc(OC(CCCCCCCCCCCCCCC)=O)cc1.C1CCCCC1=C1C(OC2C1C1(CCCCC1)\C2=C/C(c1ccc(OC(CCCCCCCCCCCCCCC)=O)cc1)=O)=O
SPLASH splash10-11b9-9643014103-6998710546026faf71e6
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany